0 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.28 BrCCOCc1cncnc1 34a_100000211926_100015196519 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.28 C#CCCSc1ccccn1 62a_100000688953_100011216584 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.28 C#CCCSc1ccccn1 62a_100011216584_100000688953 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.28 C#CCCSc1cccnc1 62a_100000210063_100000688953 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.28 C#CCCSc1cccnc1 62a_100000688953_100000210063 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.28 C#CCCSc1ccncc1 62a_100000688953_100000728582 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.28 C#CCCSc1ccncc1 62a_100000728582_100000688953 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.28 C#CCNCc1ccccn1 34a_100000212058_100000721315 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.28 C#CCNCc1cccnc1 34a_100000212058_100000733263 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.28 C#CCSCc1ccccn1 62a_100000038162_100000721315 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.28 C#CCSCc1cccnc1 62a_100000038162_100000741622 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.28 C#CCSCc1ccncc1 62a_100000038162_100015193705 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,0,0,0,0,0|2,0,2]=4 37 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,0,0,0,0,0|2,0,1]=3 41 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,0,0,0,0,0|2,0,1]=3 42 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,0,0,0,0,0|2,0,1]=3 55 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,0,0,0,0,0|2,0,1]=3 57 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,0,0,0,0,0|2,0,1]=3 64 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,0,0,0,0,0|2,0,1]=3 65 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,0,0,0,0,0|2,0,1]=3 66 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,0,0,0,0,0|2,0,1]=3 69 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,0,0,0,0,0|2,0,1]=3 70 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,0,0,0,0,0|2,0,2]=4 77 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,0,0,0,0,0|2,0,2]=4 78 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,0,0,0,0,0|2,0,2]=4 79 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,0,0,0,0,0|2,0,2]=4 80 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,0,0,0,0,0|2,0,2]=4 81 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,0,0,0,0,0|2,0,2]=4 82 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,0,0,0,0,0|2,0,2]=4 83 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,0,0,0,0,0|2,0,2]=4 84 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,0,0,0,0,0|2,0,2]=4 85 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,0,0,0,0,0|2,0,2]=4 86 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,0,0,0,0,0|1,0,2]=3 89 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,0,0,0,0,0|2,0,2]=4 90 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,0,0,0,0,0|2,0,2]=4 91 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,0,0,0,0,0|2,0,2]=4 92 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,0,0,0,0,0|2,0,0]=2 99 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,0,0,0,0,0|2,0,0]=2 105 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,0,0,0,0,0|2,0,0]=2 106 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [0,0,0,0,0,0|4,0,0]=4 117 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [0,0,0,0,0,0|4,0,0]=4 118 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,0,0,0,0,0|2,0,0]=2 125 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,0,0,0,0,0|2,0,0]=2 126 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,0,0,0,0,0|2,0,0]=2 127 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,0,0,0,0,0|2,0,0]=2 128 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [0,0,0,0,0,0|4,0,0]=4 135 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,0,0,0,0,0|2,0,0]=2 140 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,0,0,0,0,0|2,0,0]=2 141 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,0,0,0,0,0|2,0,0]=2 142 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,0,0,0,0,0|4,0,0]=4 145 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,0,0,0,0,0|4,0,0]=4 146 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,0,0,0,0,0|4,0,0]=4 147 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,0,0,0,0,0|4,0,0]=4 148 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,0,0,0,0,0|2,0,0]=2 149 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,0,0,0,0,0|4,0,0]=4 156 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,0,0,0,0,0|3,0,0]=3 157 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,0,0,0,0,0|4,0,0]=4 160 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [0,0,0,0,0,0|4,0,0]=4 161 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,0,0,0,0,0|4,0,0]=4 164 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,0,0,0,0,0|2,0,0]=2 165 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,0,0,0,0,0|2,0,0]=2 166 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,0,0,0,0,0|2,0,0]=2 167 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,0,0,0,0,0|3,0,0]=3 170 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,0,0,0,0,0|2,0,2]=4 174 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,0,0,0,0,0|2,0,0]=2 175 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,0,0,0,0,0|2,0,0]=2 176 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,0,0,0,0,0|2,0,0]=2 177 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,0,0,0,0,0|3,0,0]=3 179 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,0,0,0,0,0|4,0,0]=4 181 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,0,0,0,0,0|4,0,0]=4 182 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,0,0,0,0,0|3,0,0]=3 183 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,0,0,0,0,0|3,0,0]=3 184 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,0,0,0,0,0|4,0,0]=4 186 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,0,0,0,0,0|4,0,0]=4 187 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,0,0,0,0,0|4,0,0]=4 188 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [0,0,0,0,0,0|4,0,0]=4 189 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [0,0,0,0,0,0|4,0,0]=4 190 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,0,0,0,0,0|2,0,0]=2 191 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,0,0,0,0,0|2,0,0]=2 192 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,0,0,0,0,0|3,0,0]=3 193 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,0,0,0,0,0|3,0,0]=3 194 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,0,0,0,0,0|3,0,0]=3 195 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,0,0,0,0,0|3,0,0]=3 196 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,0,0,0,0,0|3,0,0]=3 197 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,0,0,0,0,0|3,0,0]=3 198 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,0,0,0,0,0|3,0,0]=3 199 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,0,0,0,0,0|3,0,0]=3 200 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,0,0,0,0,0|2,0,2]=4 201 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,0,0,0,0,0|2,0,2]=4 202 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,0,0,0,0,0|2,0,2]=4 203 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,0,0,0,0,0|2,0,2]=4 204 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,0,0,0,0,0|2,0,2]=4 205 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,0,0,0,0,0|2,0,2]=4 206 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,0,0,0,0,0|2,0,2]=4 207 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,0,0,0,0,0|2,0,2]=4 208 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,0,0,0,0,0|2,0,2]=4 209 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,0,0,0,0,0|2,0,2]=4 210 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,0,0,0,0,0|2,0,0]=2 211 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,0,0,0,0,0|2,0,0]=2 212 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,0,0,0,0,0|2,0,0]=2 213 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,0,0,0,0,0|2,0,0]=2 214 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,0,0,0,0,0|2,0,0]=2 215 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,0,0,0,0,0|3,0,0]=3 216 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,0,0,0,0,0|3,0,0]=3 217 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,0,0,0,0,0|3,0,0]=3 218 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,0,0,0,0,0|3,0,0]=3 219 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,0,0,0,0,0|3,0,0]=3 220 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,0,0,0,0,0|3,0,0]=3 221 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,0,0,0,0,0|3,0,0]=3 222 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,0,0,0,0,0|3,0,0]=3 223 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,0,0,0,0,0|3,0,0]=3 224 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,0,0,0,0,0|4,0,0]=4 225 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,0,0,0,0,0|4,0,0]=4 226 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,0,0,0,0,0|3,0,0]=3 228 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,0,0,0,0,0|3,0,0]=3 229 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,0,0,0,0,0|3,0,0]=3 232 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,0,0,0,0,0|3,0,0]=3 233 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,0,0,0,0,0|3,0,0]=3 234 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,0,0,0,0,0|2,0,2]=4 235 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,0,0,0,0,0|2,0,2]=4 236 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,0,0,0,0,0|2,0,2]=4 237 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,0,0,0,0,0|2,0,2]=4 238 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,0,0,0,0,0|2,0,2]=4 239 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,0,0,0,0,0|2,0,2]=4 240 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,0,0,0,0,0|2,0,2]=4 241 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,0,0,0,0,0|2,0,0]=2 242 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,0,0,0,0,0|2,0,0]=2 243 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,0,0,0,0,0|2,0,0]=2 244 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,0,0,0,0,0|3,0,0]=3 245 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,0,0,0,0,0|3,0,0]=3 246 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,0,0,0,0,0|3,0,0]=3 247 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,0,0,0,0,0|3,0,0]=3 248 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 249 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,0,0,0,0,0|4,0,0]=4 250 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,0,0,0,0,0|3,0,0]=3 251 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,0,0,0,0,0|3,0,0]=3 252 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,0,0,0,0,0|3,0,0]=3 253 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,0,0,0,0,0|3,0,0]=3 254 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,0,0,0,0,0|3,0,0]=3 255 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,0,0,0,0,0|4,0,0]=4 256 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,0,0,0,0,0|4,0,0]=4 257 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,0,0,0,0,0|4,0,0]=4 258 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,0,0,0,0,0|3,0,0]=3 259 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,0,0,0,0,0|3,0,0]=3 260 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,0,0,0,0,0|3,0,0]=3 261 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,0,0,0,0,0|3,0,0]=3 262 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,0,0,0,0,0|4,0,0]=4 263 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,0,0,0,0,0|4,0,0]=4 264 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,0,0,0,0,0|4,0,0]=4 265 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,0,0,0,0,0|4,0,0]=4 266 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,0,0,0,0,0|4,0,0]=4 267 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,0,0,0,0,0|4,0,0]=4 268 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,0,0,0,0,0|4,0,0]=4 269 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,0,0,0,0,0|3,0,0]=3 270 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,0,0,0,0,0|3,0,0]=3 271 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,0,0,0,0,0|3,0,0]=3 272 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,0,0,0,0,0|3,0,0]=3 273 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,0,0,0,0,0|3,0,0]=3 274 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,0,0,0,0,0|4,0,0]=4 275 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,0,0,0,0,0|4,0,0]=4 276 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,0,0,0,0,0|4,0,0]=4 277 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,0,0,0,0,0|4,0,0]=4 278 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,0,0,0,0,0|4,0,0]=4 279 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,0,0,0,0,0|4,0,0]=4 280 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,0,0,0,0,0|2,0,2]=4 281 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,0,0,0,0,0|2,0,2]=4 282 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,0,0,0,0,0|2,0,2]=4 283 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,0,0,0,0,0|2,0,0]=2 284 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,0,0,0,0,0|2,0,0]=2 285 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,0,0,0,0,0|3,0,0]=3 286 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,0,0,0,0,0|3,0,0]=3 287 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,0,0,0,0,0|3,0,0]=3 288 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,0,0,0,0,0|3,0,0]=3 289 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,0,0,0,0,0|3,0,0]=3 290 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,0,0,0,0,0|4,0,0]=4 291 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,0,0,0,0,0|4,0,0]=4 292 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,0,0,0,0,0|4,0,0]=4 293 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,0,0,0,0,0|3,0,0]=3 294 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,0,0,0,0,0|3,0,0]=3 295 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,0,0,0,0,0|3,0,0]=3 296 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,0,0,0,0,0|3,0,0]=3 297 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,0,0,0,0,0|4,0,0]=4 298 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,0,0,0,0,0|4,0,0]=4 299 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,0,0,0,0,0|4,0,0]=4 300 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,0,0,0,0,0|4,0,0]=4 301 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,0,0,0,0,0|4,0,0]=4 302 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,0,0,0,0,0|4,0,0]=4 303 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,0,0,0,0,0|3,0,0]=3 304 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,0,0,0,0,0|3,0,0]=3 305 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,0,0,0,0,0|3,0,0]=3 306 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,0,0,0,0,0|3,0,0]=3 307 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,0,0,0,0,0|3,0,0]=3 308 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,0,0,0,0,0|3,0,0]=3 309 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,0,0,0,0,0|3,0,0]=3 310 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,0,0,0,0,0|3,0,0]=3 311 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,0,0,0,0,0|3,0,0]=3 312 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,0,0,0,0,0|4,0,0]=4 313 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,0,0,0,0,0|4,0,0]=4 314 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,0,0,0,0,0|4,0,0]=4 315 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,0,0,0,0,0|4,0,0]=4 316 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,0,0,0,0,0|4,0,0]=4 317 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,0,0,0,0,0|4,0,0]=4 318 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,0,0,0,0,0|2,0,0]=2 319 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [0,0,0,0,0,0|4,0,0]=4 320 B11R1.28 FCCCNc1ccncn1 27a_100015189416_100000703185 [0,0,0,0,0,0|4,0,0]=4 321 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,0,0,0,0,0|4,0,0]=4 322 B11R1.28 FCCCNc1ncccn1 27a_100015189416_100000211032 [0,0,0,0,0,0|4,0,0]=4 323 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,0,0,0,0,0|2,0,0]=2 324 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,0,0,0,0,0|2,0,0]=2 325 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,0,0,0,0,0|3,0,0]=3 326 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,0,0,0,0,0|3,0,0]=3 327 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,0,0,0,0,0|3,0,0]=3 328 B11R1.28 FCCCOc1ccnnc1 34a_100015204005_100011934791 [0,0,0,0,0,0|4,0,0]=4 329 B11R1.28 FCCCOc1cncnc1 7a_100000754086_100011934791 [0,0,0,0,0,0|4,0,0]=4 330 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,0,0,0,0,0|2,0,0]=2 331 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,0,0,0,0,0|2,0,0]=2 332 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,0,0,0,0,0|3,0,0]=3 333 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,0,0,0,0,0|3,0,0]=3 334 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,0,0,0,0,0|3,0,0]=3 335 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,0,0,0,0,0|3,0,0]=3 336 B11R1.28 FCCCSc1cccnn1 62a_100011934791_100016991348 [0,0,0,0,0,0|4,0,0]=4 337 B11R1.28 FCCCSc1cccnn1 62a_100016991348_100011934791 [0,0,0,0,0,0|4,0,0]=4 338 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [0,0,0,0,0,0|3,0,0]=3 339 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [0,0,0,0,0,0|3,0,0]=3 340 B11R1.28 FCCCSc1ccncn1 62a_100000703185_100011934791 [0,0,0,0,0,0|4,0,0]=4 341 B11R1.28 FCCCSc1ccncn1 62a_100011934791_100000703185 [0,0,0,0,0,0|4,0,0]=4 342 B11R1.28 FCCCSc1ccnnc1 62a_100000732662_100011934791 [0,0,0,0,0,0|4,0,0]=4 343 B11R1.28 FCCCSc1ccnnc1 62a_100011934791_100000732662 [0,0,0,0,0,0|4,0,0]=4 344 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,0,0,0,0,0|4,0,0]=4 345 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,0,0,0,0,0|4,0,0]=4 346 B11R1.28 FCCCSc1cncnc1 62a_100011206942_100011934791 [0,0,0,0,0,0|4,0,0]=4 347 B11R1.28 FCCCSc1cncnc1 62a_100011934791_100011206942 [0,0,0,0,0,0|4,0,0]=4 348 B11R1.28 FCCCSc1ncccn1 62a_100000211032_100011934791 [0,0,0,0,0,0|4,0,0]=4 349 B11R1.28 FCCCSc1ncccn1 62a_100011934791_100000211032 [0,0,0,0,0,0|4,0,0]=4 350 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,0,0,0,0,0|2,0,0]=2 351 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,0,0,0,0,0|2,0,0]=2 352 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,0,0,0,0,0|2,0,0]=2 353 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,0,0,0,0,0|3,0,0]=3 354 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,0,0,0,0,0|3,0,0]=3 355 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,0,0,0,0,0|4,0,0]=4 356 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,0,0,0,0,0|4,0,0]=4 357 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,0,0,0,0,0|4,0,0]=4 358 B11R1.28 FCCNCc1cncnc1 2230a_100011243677_100011217306 [0,0,0,0,0,0|4,0,0]=4 359 B11R1.28 FCCNCc1cncnc1 34a_100000724931_100015196519 [0,0,0,0,0,0|4,0,0]=4 360 B11R1.28 FCCNCc1ncccn1 34a_100000724931_100000703007 [0,0,0,0,0,0|4,0,0]=4 361 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,0,0,0,0,0|2,0,0]=2 362 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,0,0,0,0,0|2,0,0]=2 363 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,0,0,0,0,0|2,0,0]=2 364 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,0,0,0,0,0|2,0,0]=2 365 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,0,0,0,0,0|3,0,0]=3 366 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,0,0,0,0,0|3,0,0]=3 367 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,0,0,0,0,0|3,0,0]=3 368 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,0,0,0,0,0|3,0,0]=3 369 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,0,0,0,0,0|4,0,0]=4 370 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,0,0,0,0,0|4,0,0]=4 371 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,0,0,0,0,0|3,0,0]=3 372 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,0,0,0,0,0|3,0,0]=3 373 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,0,0,0,0,0|4,0,0]=4 374 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,0,0,0,0,0|4,0,0]=4 375 B11R1.28 FCCSCc1cncnc1 62a_100011217306_100015196519 [0,0,0,0,0,0|4,0,0]=4 376 B11R1.28 FCCSCc1cncnc1 62a_100015196519_100011217306 [0,0,0,0,0,0|4,0,0]=4 377 B11R1.28 FCCSCc1ncccn1 62a_100000703007_100011217306 [0,0,0,0,0,0|4,0,0]=4 378 B11R1.28 FCCSCc1ncccn1 62a_100011217306_100000703007 [0,0,0,0,0,0|4,0,0]=4 379 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,0,0,0,0,0|2,0,0]=2 380 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,0,0,0,0,0|2,0,0]=2 381 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,0,0,0,0,0|2,0,0]=2 382 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,0,0,0,0,0|3,0,0]=3 383 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,0,0,0,0,0|3,0,0]=3 384 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,0,0,0,0,0|3,0,0]=3 385 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,0,0,0,0,0|4,0,0]=4 386 B11R1.28 FCOCCc1cncnc1 34a_100011709255_100015361967 [0,0,0,0,0,0|4,0,0]=4 387 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,0,0,0,0,0|2,0,0]=2 388 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,0,0,0,0,0|2,0,0]=2 389 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,0,0,0,0,0|3,0,0]=3 390 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,0,0,0,0,0|3,0,0]=3 391 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,0,0,0,0,0|3,0,0]=3 392 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,0,0,0,0,0|3,0,0]=3 393 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,0,0,0,0,0|3,0,0]=3 394 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,0,0,0,0,0|3,0,0]=3 395 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,0,0,0,0,0|3,0,0]=3 396 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,0,0,0,0,0|3,0,0]=3 397 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,0,0,0,0,0|1,0,2]=3 398 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [0,0,0,0,0,0|2,0,2]=4 399 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,0,0,0,0,0|1,0,2]=3 400 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,0,0,0,0,0|1,0,2]=3 401 B11R1.28 N#CCCSc1ccccn1 62a_100011215226_100011216584 [0,0,0,0,0,0|2,0,2]=4 402 B11R1.28 N#CCCSc1ccccn1 62a_100011216584_100011215226 [0,0,0,0,0,0|2,0,2]=4 403 B11R1.28 N#CCCSc1cccnc1 62a_100000210063_100011215226 [0,0,0,0,0,0|2,0,2]=4 404 B11R1.28 N#CCCSc1cccnc1 62a_100011215226_100000210063 [0,0,0,0,0,0|2,0,2]=4 405 B11R1.28 N#CCCSc1ccncc1 62a_100000728582_100011215226 [0,0,0,0,0,0|2,0,2]=4 406 B11R1.28 N#CCCSc1ccncc1 62a_100011215226_100000728582 [0,0,0,0,0,0|2,0,2]=4 407 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,0,0,0,0,0|1,0,2]=3 408 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,0,0,0,0,0|1,0,2]=3 409 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,0,0,0,0,0|1,0,2]=3 410 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,0,0,0,0,0|1,0,2]=3 411 B11R1.28 N#CCSCc1ccccn1 62a_100000721315_100011215382 [0,0,0,0,0,0|2,0,2]=4 412 B11R1.28 N#CCSCc1ccccn1 62a_100011215382_100000721315 [0,0,0,0,0,0|2,0,2]=4 413 B11R1.28 N#CCSCc1cccnc1 62a_100000741622_100011215382 [0,0,0,0,0,0|2,0,2]=4 414 B11R1.28 N#CCSCc1cccnc1 62a_100011215382_100000741622 [0,0,0,0,0,0|2,0,2]=4 415 B11R1.28 N#CCSCc1ccncc1 62a_100011215382_100015193705 [0,0,0,0,0,0|2,0,2]=4 416 B11R1.28 N#CCSCc1ccncc1 62a_100015193705_100011215382 [0,0,0,0,0,0|2,0,2]=4 417 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,0,0,0,0,0|2,0,2]=4 418 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,0,0,0,0,0|2,0,2]=4 419 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,0,0,0,0,0|1,0,0]=1 420 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,0,0,0,0,0|2,0,0]=2 421 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,0,0,0,0,0|2,0,0]=2 422 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,0,0,0,0,0|3,0,0]=3 423 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,0,0,0,0,0|3,0,0]=3 424 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [0,0,0,0,0,0|3,0,0]=3 425 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,0,0,0,0,0|3,0,0]=3 426 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,0,0,0,0,0|2,0,1]=3 427 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,0,0,0,0,0|2,0,1]=3 428 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,0,0,0,0,0|2,0,1]=3 429 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,0,0,0,0,0|2,0,1]=3 430 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,0,0,0,0,0|2,0,1]=3 431 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,0,0,0,0,0|2,0,1]=3 432 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,0,0,0,0,0|3,0,1]=4 433 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,0,0,0,0,0|3,0,1]=4 434 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,0,0,0,0,0|3,0,1]=4 435 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,0,0,0,0,0|3,0,1]=4 436 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,0,0,0,0,0|3,0,1]=4 437 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,0,0,0,0,0|3,0,1]=4 438 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,0,0,0,0,0|2,0,0]=2 439 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,0,0,0,0,0|4,0,0]=4 440 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [0,0,0,0,0,0|4,0,0]=4 441 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,0,0,0,0,0|4,0,0]=4 442 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [0,0,0,0,0,0|4,0,0]=4 443 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,0,0,0,0,0|2,0,0]=2 444 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,0,0,0,0,0|2,0,0]=2 445 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,0,0,0,0,0|3,0,0]=3 446 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,0,0,0,0,0|3,0,0]=3 447 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,0,0,0,0,0|3,0,0]=3 448 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [0,0,0,0,0,0|4,0,0]=4 449 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [0,0,0,0,0,0|4,0,0]=4 450 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,0,0,0,0,0|2,0,0]=2 451 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,0,0,0,0,0|2,0,0]=2 452 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,0,0,0,0,0|3,0,0]=3 453 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,0,0,0,0,0|3,0,0]=3 454 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,0,0,0,0,0|3,0,0]=3 455 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,0,0,0,0,0|3,0,0]=3 456 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,0,0,0,0,0|4,0,0]=4 457 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,0,0,0,0,0|4,0,0]=4 458 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,0,0,0,0,0|3,0,0]=3 459 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,0,0,0,0,0|3,0,0]=3 460 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [0,0,0,0,0,0|4,0,0]=4 461 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [0,0,0,0,0,0|4,0,0]=4 462 B11R1.28 OCCCSc1ccnnc1 62a_100000732662_100011215043 [0,0,0,0,0,0|4,0,0]=4 463 B11R1.28 OCCCSc1ccnnc1 62a_100011215043_100000732662 [0,0,0,0,0,0|4,0,0]=4 464 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,0,0,0,0,0|4,0,0]=4 465 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,0,0,0,0,0|4,0,0]=4 466 B11R1.28 OCCCSc1cncnc1 62a_100011206942_100011215043 [0,0,0,0,0,0|4,0,0]=4 467 B11R1.28 OCCCSc1cncnc1 62a_100011215043_100011206942 [0,0,0,0,0,0|4,0,0]=4 468 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [0,0,0,0,0,0|4,0,0]=4 469 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [0,0,0,0,0,0|4,0,0]=4 470 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,0,0,0,0,0|2,0,0]=2 471 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,0,0,0,0,0|2,0,0]=2 472 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,0,0,0,0,0|2,0,0]=2 473 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,0,0,0,0,0|2,0,0]=2 474 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,0,0,0,0,0|2,0,0]=2 475 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,0,0,0,0,0|2,0,0]=2 476 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,0,0,0,0,0|3,0,0]=3 477 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,0,0,0,0,0|3,0,0]=3 478 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,0,0,0,0,0|3,0,0]=3 479 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,0,0,0,0,0|3,0,0]=3 480 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,0,0,0,0,0|3,0,0]=3 481 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,0,0,0,0,0|3,0,0]=3 482 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,0,0,0,0,0|3,0,0]=3 483 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,0,0,0,0,0|3,0,0]=3 484 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,0,0,0,0,0|4,0,0]=4 485 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,0,0,0,0,0|4,0,0]=4 486 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,0,0,0,0,0|4,0,0]=4 487 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,0,0,0,0,0|3,0,0]=3 488 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,0,0,0,0,0|3,0,0]=3 489 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [0,0,0,0,0,0|4,0,0]=4 490 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,0,0,0,0,0|4,0,0]=4 491 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,0,0,0,0,0|4,0,0]=4 492 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,0,0,0,0,0|4,0,0]=4 493 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [0,0,0,0,0,0|4,0,0]=4 494 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [0,0,0,0,0,0|4,0,0]=4 495 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [0,0,0,0,0,0|4,0,0]=4 496 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [0,0,0,0,0,0|4,0,0]=4 497 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,0,0,0,0,0|4,0,0]=4 498 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,0,0,0,0,0|4,0,0]=4 499 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,0,0,0,0,0|4,0,0]=4 500 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,0,0,0,0,0|2,0,0]=2 501 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,0,0,0,0,0|2,0,0]=2 502 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,0,0,0,0,0|2,0,0]=2 503 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,0,0,0,0,0|2,0,0]=2 504 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,0,0,0,0,0|3,0,0]=3 505 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,0,0,0,0,0|3,0,0]=3 506 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,0,0,0,0,0|3,0,0]=3 507 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,0,0,0,0,0|3,0,0]=3 508 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,0,0,0,0,0|4,0,0]=4 509 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,0,0,0,0,0|4,0,0]=4 510 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,0,0,0,0,0|3,0,0]=3 511 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,0,0,0,0,0|3,0,0]=3 512 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,0,0,0,0,0|4,0,0]=4 513 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,0,0,0,0,0|4,0,0]=4 514 B11R1.28 OCCSCc1cncnc1 62a_100000211926_100015196519 [0,0,0,0,0,0|4,0,0]=4 515 B11R1.28 OCCSCc1cncnc1 62a_100015196519_100000211926 [0,0,0,0,0,0|4,0,0]=4 516 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,0,0,0,0,0|4,0,0]=4 517 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,0,0,0,0,0|4,0,0]=4 518 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,0,0,0,0,0|2,0,2]=4 519 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,0,0,0,0,0|2,0,2]=4 520 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,0,0,0,0,0|2,0,2]=4 521 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,0,0,0,0,0|2,0,0]=2 522 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,0,0,0,0,0|2,0,0]=2 523 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,0,0,0,0,0|3,0,0]=3 524 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,0,0,0,0,0|3,0,0]=3 525 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,0,0,0,0,0|3,0,0]=3 526 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,0,0,0,0,0|3,0,0]=3 527 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,0,0,0,0,0|3,0,0]=3 528 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,0,0,0,0,0|4,0,0]=4 529 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,0,0,0,0,0|4,0,0]=4 530 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,0,0,0,0,0|3,0,0]=3 531 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,0,0,0,0,0|2,0,2]=4 532 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,0,0,0,0,0|2,0,2]=4 533 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,0,0,0,0,0|2,0,2]=4 534 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,0,0,0,0,0|2,0,2]=4 535 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,0,0,0,0,0|2,0,0]=2 536 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,0,0,0,0,0|2,0,0]=2 537 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,0,0,0,0,0|3,0,0]=3 538 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,0,0,0,0,0|3,0,0]=3 539 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,0,0,0,0,0|3,0,0]=3 540 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 541 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,0,0,0,0,0|4,0,0]=4 542 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,0,0,0,0,0|3,0,0]=3 543 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,0,0,0,0,0|3,0,0]=3 544 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,0,0,0,0,0|3,0,0]=3 545 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,0,0,0,0,0|4,0,0]=4 546 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,0,0,0,0,0|2,0,2]=4 547 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,0,0,0,0,0|2,0,2]=4 548 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,0,0,0,0,0|2,0,2]=4 549 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,0,0,0,0,0|2,0,0]=2 550 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,0,0,0,0,0|2,0,0]=2 551 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,0,0,0,0,0|3,0,0]=3 552 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,0,0,0,0,0|3,0,0]=3 553 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,0,0,0,0,0|3,0,0]=3 554 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,0,0,0,0,0|3,0,0]=3 555 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,0,0,0,0,0|3,0,0]=3 556 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,0,0,0,0,0|3,0,0]=3 557 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,0,0,0,0,0|3,0,0]=3 558 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,0,0,0,0,0|3,0,0]=3 559 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|1,0,2]=4 560 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|1,0,2]=4 561 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|1,0,2]=4 562 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|1,0,2]=4 563 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|1,0,2]=4 564 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|1,0,2]=4 565 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|1,0,2]=4 566 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|1,0,2]=4 567 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|1,0,2]=4 568 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|2,0,1]=4 569 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|0,0,0]=1 570 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|1,0,0]=2 571 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|1,0,0]=2 572 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|2,0,0]=3 573 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|1,0,0]=2 574 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|2,0,0]=3 575 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|2,0,0]=3 576 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|2,0,0]=3 577 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|2,0,0]=3 578 B10R1.17 CCCCc1cnnnc1 271570a_100020621405_100009846058 [1,0,0,0,0,0|3,0,0]=4 579 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|2,0,0]=3 580 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|1,0,0]=2 581 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|1,0,0]=2 582 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|1,0,0]=2 583 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|2,0,0]=3 584 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|2,0,0]=3 585 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|2,0,0]=3 586 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [1,0,0,0,0,0|3,0,0]=4 587 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [1,0,0,0,0,0|3,0,0]=4 588 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|1,0,0]=2 589 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|1,0,0]=2 590 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|2,0,0]=3 591 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|2,0,0]=3 593 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|2,0,0]=3 594 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [1,0,0,0,0,0|3,0,0]=4 595 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [1,0,0,0,0,0|3,0,0]=4 596 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|2,0,0]=3 597 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [1,0,0,0,0,0|3,0,0]=4 599 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [1,0,0,0,0,0|3,0,0]=4 600 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [1,0,0,0,0,0|3,0,0]=4 601 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [1,0,0,0,0,0|3,0,0]=4 602 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [1,0,0,0,0,0|3,0,0]=4 603 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [1,0,0,0,0,0|3,0,0]=4 604 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [1,0,0,0,0,0|3,0,0]=4 605 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [1,0,0,0,0,0|3,0,0]=4 606 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [1,0,0,0,0,0|3,0,0]=4 607 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [1,0,0,0,0,0|3,0,0]=4 608 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|1,0,0]=2 609 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|1,0,0]=2 610 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|1,0,0]=2 611 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|1,0,0]=2 612 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|1,0,0]=2 613 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|2,0,0]=3 614 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|2,0,0]=3 615 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|2,0,0]=3 616 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|2,0,0]=3 617 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|2,0,0]=3 618 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|2,0,0]=3 619 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [1,0,0,0,0,0|3,0,0]=4 620 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [1,0,0,0,0,0|3,0,0]=4 621 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|2,0,0]=3 622 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|2,0,0]=3 623 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [1,0,0,0,0,0|3,0,0]=4 624 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [1,0,0,0,0,0|3,0,0]=4 625 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [1,0,0,0,0,0|3,0,0]=4 626 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [1,0,0,0,0,0|3,0,0]=4 627 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [1,0,0,0,0,0|3,0,0]=4 628 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [1,0,0,0,0,0|3,0,0]=4 629 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [1,0,0,0,0,0|3,0,0]=4 630 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [1,0,0,0,0,0|3,0,0]=4 631 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|1,0,0]=2 632 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|1,0,0]=2 633 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|1,0,0]=2 634 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|2,0,0]=3 635 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|2,0,0]=3 636 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,0,0,0,0,0|3,0,0]=4 637 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,0,0,0,0,0|3,0,0]=4 638 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [1,0,0,0,0,0|3,0,0]=4 639 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [1,0,0,0,0,0|3,0,0]=4 640 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|1,0,0]=2 641 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|1,0,0]=2 642 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|2,0,0]=3 643 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|2,0,0]=3 644 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|2,0,0]=3 645 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|2,0,0]=3 646 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [1,0,0,0,0,0|3,0,0]=4 647 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [1,0,0,0,0,0|3,0,0]=4 648 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|2,0,0]=3 649 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|2,0,0]=3 650 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [1,0,0,0,0,0|3,0,0]=4 651 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [1,0,0,0,0,0|3,0,0]=4 652 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [1,0,0,0,0,0|3,0,0]=4 653 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [1,0,0,0,0,0|3,0,0]=4 654 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [1,0,0,0,0,0|3,0,0]=4 655 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [1,0,0,0,0,0|3,0,0]=4 656 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|1,0,0]=2 657 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|1,0,0]=2 658 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|1,0,0]=2 659 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|1,0,0]=2 660 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|1,0,0]=2 661 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|2,0,0]=3 662 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|2,0,0]=3 663 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|2,0,0]=3 664 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|2,0,0]=3 665 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|2,0,0]=3 666 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|2,0,0]=3 667 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|2,0,0]=3 668 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|2,0,0]=3 669 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 670 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|1,0,0]=2 671 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 672 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|2,0,0]=3 673 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|2,0,0]=3 674 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|2,0,0]=3 675 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,0|3,0,0]=4 676 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,0,0,0,0,0|3,0,0]=4 677 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|2,0,0]=3 678 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|2,0,0]=3 679 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,0,0,0,0,0|3,0,0]=4 680 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,0,0,0,0,0|3,0,0]=4 681 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,0,0,0,0,0|3,0,0]=4 682 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,0,0,0,0,0|3,0,0]=4 683 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [1,0,0,0,0,0|3,0,0]=4 684 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [1,0,0,0,0,0|3,0,0]=4 685 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|1,0,0]=2 686 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|1,0,0]=2 687 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|2,0,0]=3 688 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|2,0,0]=3 689 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|2,0,0]=3 690 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|2,0,0]=3 691 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|2,0,0]=3 692 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|2,0,0]=3 693 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|2,0,0]=3 694 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|2,0,0]=3 695 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,0,0,0,0|3,0,0]=4 696 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,0,0,0,0,0|3,0,0]=4 697 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|2,0,0]=3 698 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|2,0,0]=3 699 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|2,0,0]=3 700 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|2,0,0]=3 701 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,0,0,0,0,0|3,0,0]=4 702 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,0,0,0,0,0|3,0,0]=4 703 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [1,0,0,0,0,0|3,0,0]=4 704 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [1,0,0,0,0,0|3,0,0]=4 705 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [1,0,0,0,0,0|3,0,0]=4 706 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [1,0,0,0,0,0|3,0,0]=4 707 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|2,0,0]=3 708 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|2,0,0]=3 709 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|2,0,0]=3 710 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,0,0,0,0,0|3,0,0]=4 711 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,0,0,0,0,0|3,0,0]=4 712 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [1,0,0,0,0,0|3,0,0]=4 713 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|2,0,0]=3 714 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|2,0,0]=3 715 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,0,0,0,0,0|3,0,0]=4 716 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,0,0,0,0,0|3,0,0]=4 717 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [1,0,0,0,0,0|3,0,0]=4 718 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [1,0,0,0,0,0|3,0,0]=4 719 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [1,0,0,0,0,0|3,0,0]=4 720 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [1,0,0,0,0,0|3,0,0]=4 721 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|2,0,0]=3 722 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|2,0,0]=3 723 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|2,0,0]=3 724 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|2,0,0]=3 725 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|2,0,0]=3 726 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,0,0,0,0,0|3,0,0]=4 727 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,0,0,0,0,0|3,0,0]=4 728 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [1,0,0,0,0,0|3,0,0]=4 729 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [1,0,0,0,0,0|3,0,0]=4 730 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [1,0,0,0,0,0|3,0,0]=4 731 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [1,0,0,0,0,0|3,0,0]=4 732 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|1,0,2]=4 733 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|1,0,2]=4 734 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|1,0,2]=4 735 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|2,0,1]=4 736 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|2,0,1]=4 737 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|2,0,1]=4 738 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|2,0,1]=4 739 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|2,0,1]=4 740 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|2,0,0]=3 741 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|2,0,0]=3 742 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|2,0,0]=3 743 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,0,0,0,0,0|3,0,0]=4 744 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,0,0,0,0,0|3,0,0]=4 745 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,0,0,0,0,0|3,0,0]=4 746 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|2,0,0]=3 747 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|2,0,0]=3 748 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,0,0,0,0,0|3,0,0]=4 749 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,0,0,0,0,0|3,0,0]=4 750 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,0,0,0,0,0|3,0,0]=4 751 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,0,0,0,0,0|3,0,0]=4 752 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [1,0,0,0,0,0|3,0,0]=4 753 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [1,0,0,0,0,0|3,0,0]=4 754 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|1,0,0]=2 755 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|1,0,0]=2 756 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|2,0,0]=3 757 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 758 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 759 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|2,0,0]=3 760 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|2,0,0]=3 761 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|2,0,0]=3 762 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,0|3,0,0]=4 763 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,0,0,0,0,0|3,0,0]=4 764 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|1,0,0]=2 765 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|1,0,0]=2 766 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|2,0,0]=3 767 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|2,0,0]=3 768 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|2,0,0]=3 769 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|2,0,0]=3 770 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|2,0,0]=3 771 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|2,0,0]=3 772 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|2,0,0]=3 773 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|2,0,0]=3 774 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,1,0,0,0,0|2,0,0]=3 776 B12R1.1 BrCCOCc1ccc(cn1)Br 34a_100000211926_100000702658 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.1 BrCCOCc1ccc(nc1)Br 34a_100000211926_100009831999 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.1 C#CCCNc1ccc(cc1)Br 2230a_100000210018_100000688953 [0,1,0,0,0,0|2,0,1]=4 779 B12R1.1 C#CCCNc1ccc(cc1)Br 34a_100000210018_100000688953 [0,1,0,0,0,0|2,0,1]=4 780 B12R1.1 C#CCCNc1ccc(cc1)C 34a_100000124888_100000688953 [0,1,0,0,0,0|2,0,1]=4 781 B12R1.1 C#CCCNc1ccc(cc1)Cl 2230a_100000210052_100000688953 [0,1,0,0,0,0|2,0,1]=4 782 B12R1.1 C#CCCNc1ccc(cc1)Cl 34a_100000210052_100000688953 [0,1,0,0,0,0|2,0,1]=4 783 B12R1.1 C#CCCNc1ccc(cc1)F 34a_100000185862_100000688953 [0,1,0,0,0,0|2,0,1]=4 784 B12R1.1 C#CCCNc1ccc(cc1)I 34a_100000185761_100000688953 [0,1,0,0,0,0|2,0,1]=4 785 B12R1.1 C#CCCNc1ccc(cc1)O 34a_100000185829_100000688953 [0,1,0,0,0,0|2,0,1]=4 786 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [0,1,0,0,0,0|2,0,1]=4 787 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [0,1,0,0,0,0|2,0,1]=4 788 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,1,0,0,0,0|2,0,1]=4 789 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,1,0,0,0,0|2,0,1]=4 790 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [0,1,0,0,0,0|2,0,1]=4 791 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [0,1,0,0,0,0|2,0,1]=4 792 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [0,1,0,0,0,0|2,0,1]=4 795 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [0,1,0,0,0,0|2,0,1]=4 796 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000688953_100000752885 [0,1,0,0,0,0|2,0,1]=4 797 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000752885_100000688953 [0,1,0,0,0,0|2,0,1]=4 798 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000186775_100000688953 [0,1,0,0,0,0|2,0,1]=4 799 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000688953_100000186775 [0,1,0,0,0,0|2,0,1]=4 800 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000688953_100000755918 [0,1,0,0,0,0|2,0,1]=4 801 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000755918_100000688953 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000211213_100000688953 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000688953_100000211213 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000185761_100000688953 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000688953_100000185761 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.1 C#CCCSc1ccc(cc1)O 62a_100000688953_100000185759 [0,1,0,0,0,0|2,0,1]=4 807 B12R1.1 C#CCNCc1ccc(cc1)Br 2230a_100000174875_100000038162 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000174875_100000184674 [0,1,0,0,0,0|2,0,1]=4 809 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000212058_100000189115 [0,1,0,0,0,0|2,0,1]=4 810 B12R1.1 C#CCNCc1ccc(cc1)C 2230a_100000174908_100000038162 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000174908_100000184674 [0,1,0,0,0,0|2,0,1]=4 812 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000212058_100000210814 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.1 C#CCNCc1ccc(cc1)Cl 2230a_100000174871_100000038162 [0,1,0,0,0,0|2,0,1]=4 814 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000174871_100000184674 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000212058_100000694040 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.1 C#CCNCc1ccc(cc1)F 2230a_100000174882_100000038162 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000174882_100000184674 [0,1,0,0,0,0|2,0,1]=4 818 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000212058_100000198546 [0,1,0,0,0,0|2,0,1]=4 819 B12R1.1 C#CCNCc1ccc(cc1)I 2230a_100016989417_100000038162 [0,1,0,0,0,0|2,0,1]=4 820 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100000212058_100000189116 [0,1,0,0,0,0|2,0,1]=4 821 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100016989417_100000184674 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.1 C#CCNCc1ccc(cc1)O 34a_100000185549_100000184674 [0,1,0,0,0,0|2,0,1]=4 823 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000210247_100000189115 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000695286_100000184674 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,1,0,0,0,0|2,0,1]=4 828 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000210247_100000694040 [0,1,0,0,0,0|2,0,1]=4 829 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000211118_100000184674 [0,1,0,0,0,0|2,0,1]=4 830 B12R1.1 C#CCOCc1ccc(cc1)Cl 7a_100000211118_100000038162 [0,1,0,0,0,0|2,0,1]=4 831 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210247_100000198546 [0,1,0,0,0,0|2,0,1]=4 832 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210977_100000184674 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.1 C#CCOCc1ccc(cc1)F 7a_100000210977_100000038162 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000210247_100000189116 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000690907_100000184674 [0,1,0,0,0,0|2,0,1]=4 836 B12R1.1 C#CCOCc1ccc(cc1)I 7a_100000690907_100000038162 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.1 C#CCOCc1ccc(cc1)N 34a_100011215238_100000184674 [0,1,0,0,0,0|2,0,1]=4 838 B12R1.1 C#CCSCc1ccc(cc1)Br 62a_100000038162_100000189115 [0,1,0,0,0,0|2,0,1]=4 839 B12R1.1 C#CCSCc1ccc(cc1)C 62a_100000038162_100000210814 [0,1,0,0,0,0|2,0,1]=4 840 B12R1.1 C#CCSCc1ccc(cc1)Cl 62a_100000038162_100000187161 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.1 C#CCSCc1ccc(cc1)F 62a_100000038162_100000187164 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.1 C#CCSCc1ccc(cc1)I 62a_100000038162_100000189116 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,1,0,0,0,0|2,0,1]=4 848 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,1,0,0,0,0|2,0,1]=4 849 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,1,0,0,0,0|2,0,1]=4 850 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,1,0,0,0,0|2,0,1]=4 851 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,1,0,0,0,0|2,0,1]=4 852 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,1,0,0,0,0|2,0,1]=4 853 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,1,0,0,0,0|2,0,1]=4 854 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,1,0,0,0,0|2,0,1]=4 855 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,1,0,0,0,0|2,0,1]=4 856 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,1,0,0,0,0|2,0,1]=4 857 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,1,0,0,0,0|2,0,1]=4 858 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,1,0,0,0,0|2,0,1]=4 859 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,1,0,0,0,0|2,0,1]=4 860 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,1,0,0,0,0|2,0,1]=4 861 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,1,0,0,0,0|2,0,1]=4 862 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,1,0,0,0,0|2,0,1]=4 863 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,1,0,0,0,0|2,0,1]=4 865 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,1,0,0,0,0|2,0,1]=4 867 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,1,0,0,0,0|2,0,1]=4 868 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,1,0,0,0,0|2,0,1]=4 869 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,1,0,0,0,0|2,0,1]=4 870 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,1,0,0,0,0|2,0,1]=4 872 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,1,0,0,0,0|2,0,1]=4 873 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,1,0,0,0,0|2,0,1]=4 874 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,1,0,0,0,0|2,0,1]=4 875 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,1,0,0,0,0|2,0,1]=4 876 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,1,0,0,0,0|2,0,1]=4 877 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,1,0,0,0,0|2,0,1]=4 878 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,1,0,0,0,0|2,0,1]=4 879 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,1,0,0,0,0|2,0,1]=4 880 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,1,0,0,0,0|2,0,1]=4 881 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,1,0,0,0,0|2,0,1]=4 882 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,1,0,0,0,0|2,0,1]=4 883 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,1,0,0,0,0|2,0,1]=4 884 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,1,0,0,0,0|2,0,1]=4 885 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,1,0,0,0,0|2,0,1]=4 886 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,1,0,0,0,0|2,0,1]=4 887 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,1,0,0,0,0|2,0,1]=4 888 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,1,0,0,0,0|2,0,1]=4 889 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,1,0,0,0,0|2,0,1]=4 890 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,1,0,0,0,0|2,0,1]=4 891 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,1,0,0,0,0|2,0,1]=4 892 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,1,0,0,0,0|2,0,1]=4 893 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,1,0,0,0,0|2,0,1]=4 894 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,1,0,0,0,0|2,0,1]=4 895 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,1,0,0,0,0|2,0,1]=4 896 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,1,0,0,0,0|2,0,1]=4 897 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,1,0,0,0,0|2,0,1]=4 898 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,1,0,0,0,0|2,0,1]=4 899 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,1,0,0,0,0|2,0,1]=4 900 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,1,0,0,0,0|2,0,1]=4 901 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,1,0,0,0,0|2,0,1]=4 902 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,1,0,0,0,0|2,0,1]=4 903 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,1,0,0,0,0|2,0,1]=4 904 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,1,0,0,0,0|2,0,1]=4 905 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,1,0,0,0,0|2,0,1]=4 906 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,1,0,0,0,0|2,0,1]=4 907 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,1,0,0,0,0|2,0,1]=4 908 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,1,0,0,0,0|2,0,1]=4 909 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,1,0,0,0,0|2,0,1]=4 910 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,1,0,0,0,0|2,0,1]=4 911 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,1,0,0,0,0|2,0,1]=4 913 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,1,0,0,0,0|2,0,1]=4 914 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,1,0,0,0,0|2,0,1]=4 915 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,1,0,0,0,0|2,0,1]=4 916 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,1,0,0,0,0|2,0,1]=4 917 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,1,0,0,0,0|2,0,1]=4 918 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [0,1,0,0,0,0|1,0,2]=4 919 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,1,0,0,0,0|1,0,2]=4 920 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [0,1,0,0,0,0|1,0,2]=4 921 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [0,1,0,0,0,0|1,0,2]=4 922 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [0,1,0,0,0,0|1,0,2]=4 923 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,1,0,0,0,0|1,0,2]=4 924 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,1,0,0,0,0|1,0,0]=2 925 B12R1.1 CCCCCc1cnc(nc1)O 271570a_203496583355_200000062305 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,1,0,0,0,0|2,0,0]=3 927 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,1,0,0,0,0|2,0,0]=3 928 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,1,0,0,0,0|2,0,0]=3 929 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,1,0,0,0,0|2,0,0]=3 931 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,1,0,0,0,0|2,0,0]=3 932 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,1,0,0,0,0|2,0,0]=3 933 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,1,0,0,0,0|2,0,0]=3 934 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,1,0,0,0,0|2,0,0]=3 940 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,1,0,0,0,0|2,0,0]=3 943 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,1,0,0,0,0|2,0,0]=3 944 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,1,0,0,0,0|2,0,0]=3 945 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,1,0,0,0,0|2,0,0]=3 946 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,1,0,0,0,0|2,0,0]=3 947 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,1,0,0,0,0|2,0,0]=3 948 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.1 CCCCSc1cc[n+](cc1)[O-] 62a_100000210211_100000039755 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,1,0,0,0,0|2,0,0]=3 969 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,1,0,0,0,0|2,0,0]=3 974 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,1,0,0,0,0|2,0,0]=3 975 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,1,0,0,0,0|2,0,0]=3 976 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,1,0,0,0,0|2,0,0]=3 977 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,1,0,0,0,0|2,0,0]=3 978 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100000210211_100009814638 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100009814638_100000210210 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000210211_100000751577 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000751577_100000210210 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000042367_100000210210 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000210211_100000042367 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000187370_100000210210 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000210211_100000187370 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,1,0,0,0,0|2,0,0]=3 1001 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,1,0,0,0,0|2,0,0]=3 1002 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,1,0,0,0,0|2,0,0]=3 1003 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,1,0,0,0,0|2,0,0]=3 1004 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,1,0,0,0,0|2,0,0]=3 1005 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,1,0,0,0,0|2,0,0]=3 1006 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,1,0,0,0,0|2,0,0]=3 1007 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,1,0,0,0,0|2,0,0]=3 1008 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,1,0,0,0,0|2,0,0]=3 1010 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,1,0,0,0,0|2,0,0]=3 1011 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,1,0,0,0,0|2,0,0]=3 1012 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,1,0,0,0,0|2,0,0]=3 1013 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,1,0,0,0,0|2,0,0]=3 1014 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,1,0,0,0,0|2,0,0]=3 1015 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,1,0,0,0,0|2,0,0]=3 1016 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,1,0,0,0,0|2,0,0]=3 1017 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,1,0,0,0,0|2,0,0]=3 1018 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,1,0,0,0,0|2,0,0]=3 1019 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,1,0,0,0,0|2,0,0]=3 1020 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,1,0,0,0,0|3,0,0]=4 1027 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,1,0,0,0,0|3,0,0]=4 1028 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.1 CCCNCc1ccc(nc1)Br 2230a_100009817727_100000210303 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.1 CCCNCc1ccc(nc1)Br 34a_100009817727_100000210303 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.1 CCCNCc1ccc(nc1)C 270004a_100020643023_100000743784 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.1 CCCNCc1ccc(nc1)C 34a_100000740942_100000210303 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.1 CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210303 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.1 CCCNCc1ccc(nc1)Cl 34a_100000735879_100000210303 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.1 CCCNCc1ccc(nc1)F 2230a_100000101913_100000210303 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.1 CCCNCc1ccc(nc1)F 34a_100000101913_100000210303 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.1 CCCNCc1ccc(nc1)O 207a_100020643023_100011361521 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.1 CCCNCc1ccc(nc1)O 2230a_100000757128_100000210303 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [0,1,0,0,0,0|3,0,0]=4 1046 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,1,0,0,0,0|2,0,0]=3 1048 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,1,0,0,0,0|2,0,0]=3 1049 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,1,0,0,0,0|2,0,0]=3 1050 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,1,0,0,0,0|2,0,0]=3 1051 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,1,0,0,0,0|2,0,0]=3 1052 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,1,0,0,0,0|2,0,0]=3 1053 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,1,0,0,0,0|2,0,0]=3 1054 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,1,0,0,0,0|2,0,0]=3 1055 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,1,0,0,0,0|2,0,0]=3 1056 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,1,0,0,0,0|2,0,0]=3 1057 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,1,0,0,0,0|2,0,0]=3 1058 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,1,0,0,0,0|2,0,0]=3 1059 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,1,0,0,0,0|2,0,0]=3 1060 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1061 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,1,0,0,0,0|2,0,0]=3 1084 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,1,0,0,0,0|2,0,0]=3 1085 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,1,0,0,0,0|2,0,0]=3 1086 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,1,0,0,0,0|2,0,0]=3 1087 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,1,0,0,0,0|2,0,0]=3 1088 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,1,0,0,0,0|2,0,0]=3 1089 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,1,0,0,0,0|2,0,0]=3 1090 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,1,0,0,0,0|2,0,0]=3 1091 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [0,1,0,0,0,0|3,0,0]=4 1099 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100000210303_100009831999 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100009831999_100000210303 [0,1,0,0,0,0|3,0,0]=4 1101 B12R1.1 CCCSCc1ccc(nc1)C 62a_100000210303_100016987292 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.1 CCCSCc1ccc(nc1)C 62a_100016987292_100000210303 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000210303_100000735431 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000735431_100000210303 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.1 CCCSCc1ccc(nc1)F 62a_100000210303_100000099788 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.1 CCCSCc1ccc(nc1)F 62a_100009820150_100000210303 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,1,0,0,0,0|2,0,0]=3 1108 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,1,0,0,0,0|2,0,0]=3 1109 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,1,0,0,0,0|2,0,0]=3 1110 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,1,0,0,0,0|2,0,0]=3 1111 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,1,0,0,0,0|2,0,0]=3 1112 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,1,0,0,0,0|2,0,0]=3 1113 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,1,0,0,0,0|2,0,0]=3 1114 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,1,0,0,0,0|2,0,0]=3 1115 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,1,0,0,0,0|2,0,0]=3 1116 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,1,0,0,0,0|2,0,0]=3 1118 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,1,0,0,0,0|2,0,0]=3 1119 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,1,0,0,0,0|2,0,0]=3 1120 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,1,0,0,0,0|2,0,0]=3 1121 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,1,0,0,0,0|2,0,0]=3 1122 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,1,0,0,0,0|2,0,0]=3 1123 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,1,0,0,0,0|2,0,0]=3 1124 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,1,0,0,0,0|2,0,0]=3 1125 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,1,0,0,0,0|2,0,0]=3 1126 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,1,0,0,0,0|2,0,0]=3 1127 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,1,0,0,0,0|2,0,0]=3 1128 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,1,0,0,0,0|2,0,0]=3 1129 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,1,0,0,0,0|2,0,0]=3 1130 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,1,0,0,0,0|2,0,0]=3 1131 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,1,0,0,0,0|2,0,0]=3 1132 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,1,0,0,0,0|2,0,0]=3 1133 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,1,0,0,0,0|2,0,0]=3 1134 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,1,0,0,0,0|2,0,0]=3 1135 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,1,0,0,0,0|2,0,0]=3 1136 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.1 CCOCCc1ccc(nc1)C 34a_100011815783_100000210202 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.1 CCOCCc1ccc(nc1)Cl 34a_100009880866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.1 CCOCCc1ccc(nc1)Cl 7a_100009880866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000739092_100000752885 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000752885_100000739092 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000186775_100000739092 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000739092_100000186775 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000739092_100000755918 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000755918_100000739092 [0,1,0,0,0,0|3,0,0]=4 1146 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000211213_100000739092 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000739092_100000211213 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000185761_100000739092 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000739092_100000185761 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,1,0,0,0,0|2,0,0]=3 1159 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,1,0,0,0,0|2,0,0]=3 1161 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,1,0,0,0,0|2,0,0]=3 1162 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,1,0,0,0,0|2,0,0]=3 1164 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,1,0,0,0,0|2,0,0]=3 1165 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,1,0,0,0,0|3,0,0]=4 1179 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,1,0,0,0,0|2,0,0]=3 1202 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,1,0,0,0,0|2,0,0]=3 1203 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,1,0,0,0,0|2,0,0]=3 1204 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,1,0,0,0,0|2,0,0]=3 1205 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,1,0,0,0,0|2,0,0]=3 1206 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,1,0,0,0,0|2,0,0]=3 1207 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,1,0,0,0,0|2,0,0]=3 1208 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,1,0,0,0,0|2,0,0]=3 1209 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1210 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,1,0,0,0,0|2,0,0]=3 1211 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1212 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,1,0,0,0,0|3,0,0]=4 1227 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,1,0,0,0,0|3,0,0]=4 1229 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,1,0,0,0,0|3,0,0]=4 1231 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,1,0,0,0,0|3,0,0]=4 1232 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,1,0,0,0,0|3,0,0]=4 1233 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,1,0,0,0,0|3,0,0]=4 1234 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,1,0,0,0,0|3,0,0]=4 1235 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,1,0,0,0,0|3,0,0]=4 1237 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,1,0,0,0,0|3,0,0]=4 1238 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,1,0,0,0,0|3,0,0]=4 1239 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [0,1,0,0,0,0|3,0,0]=4 1244 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,1,0,0,0,0|3,0,0]=4 1245 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [0,1,0,0,0,0|3,0,0]=4 1250 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [0,1,0,0,0,0|3,0,0]=4 1252 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [0,1,0,0,0,0|3,0,0]=4 1253 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [0,1,0,0,0,0|3,0,0]=4 1254 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [0,1,0,0,0,0|3,0,0]=4 1255 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [0,1,0,0,0,0|3,0,0]=4 1256 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [0,1,0,0,0,0|3,0,0]=4 1257 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [0,1,0,0,0,0|3,0,0]=4 1258 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,1,0,0,0,0|3,0,0]=4 1259 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,1,0,0,0,0|3,0,0]=4 1261 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,1,0,0,0,0|3,0,0]=4 1262 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,1,0,0,0,0|3,0,0]=4 1270 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,1,0,0,0,0|3,0,0]=4 1271 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,1,0,0,0,0|3,0,0]=4 1272 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,1,0,0,0,0|3,0,0]=4 1273 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,1,0,0,0,0|3,0,0]=4 1274 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,1,0,0,0,0|3,0,0]=4 1275 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,1,0,0,0,0|2,0,0]=3 1276 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,1,0,0,0,0|2,0,0]=3 1277 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1278 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,1,0,0,0,0|2,0,0]=3 1280 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,1,0,0,0,0|2,0,0]=3 1281 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [0,1,0,0,0,0|3,0,0]=4 1283 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [0,1,0,0,0,0|3,0,0]=4 1285 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [0,1,0,0,0,0|3,0,0]=4 1286 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [0,1,0,0,0,0|3,0,0]=4 1287 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [0,1,0,0,0,0|3,0,0]=4 1288 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,1,0,0,0,0|3,0,0]=4 1289 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,1,0,0,0,0|3,0,0]=4 1290 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,1,0,0,0,0|3,0,0]=4 1291 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,1,0,0,0,0|3,0,0]=4 1292 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,1,0,0,0,0|3,0,0]=4 1293 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,1,0,0,0,0|3,0,0]=4 1295 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,1,0,0,0,0|3,0,0]=4 1296 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,1,0,0,0,0|3,0,0]=4 1297 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,1,0,0,0,0|3,0,0]=4 1298 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,1,0,0,0,0|3,0,0]=4 1299 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,1,0,0,0,0|3,0,0]=4 1300 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,1,0,0,0,0|3,0,0]=4 1301 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,1,0,0,0,0|3,0,0]=4 1302 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,1,0,0,0,0|3,0,0]=4 1303 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,1,0,0,0,0|3,0,0]=4 1304 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,1,0,0,0,0|3,0,0]=4 1305 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,1,0,0,0,0|3,0,0]=4 1306 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,1,0,0,0,0|3,0,0]=4 1307 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [0,1,0,0,0,0|3,0,0]=4 1308 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,1,0,0,0,0|3,0,0]=4 1310 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [0,1,0,0,0,0|3,0,0]=4 1314 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [0,1,0,0,0,0|3,0,0]=4 1315 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [0,1,0,0,0,0|3,0,0]=4 1316 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [0,1,0,0,0,0|3,0,0]=4 1317 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,1,0,0,0,0|3,0,0]=4 1318 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [0,1,0,0,0,0|3,0,0]=4 1319 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [0,1,0,0,0,0|3,0,0]=4 1320 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,1,0,0,0,0|3,0,0]=4 1321 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,1,0,0,0,0|3,0,0]=4 1322 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,1,0,0,0,0|3,0,0]=4 1323 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [0,1,0,0,0,0|3,0,0]=4 1326 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,1,0,0,0,0|3,0,0]=4 1330 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,1,0,0,0,0|3,0,0]=4 1331 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100000189115_100011218213 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100011218213_100000189115 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [0,1,0,0,0,0|3,0,0]=4 1338 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [0,1,0,0,0,0|3,0,0]=4 1339 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [0,1,0,0,0,0|3,0,0]=4 1340 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [0,1,0,0,0,0|3,0,0]=4 1341 B12R1.1 CSCSCc1ccc(cc1)F 62a_100000198546_100011218213 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.1 CSCSCc1ccc(cc1)F 62a_100011218213_100000187164 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.1 CSCSCc1ccc(cc1)I 62a_100000189116_100011218213 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.1 CSCSCc1ccc(cc1)I 62a_100011218213_100000189116 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.1 C[n+]1ccc(cc1)COCCF 34a_100009831711_100011217306 [0,1,0,0,0,0|3,0,0]=4 1346 B12R1.1 C[n+]1ccc(cc1)COCCO 34a_100009831711_100000211926 [0,1,0,0,0,0|3,0,0]=4 1347 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,1,0,0,0,0|2,0,0]=3 1349 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,1,0,0,0,0|2,0,0]=3 1350 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,1,0,0,0,0|2,0,0]=3 1351 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,1,0,0,0,0|2,0,0]=3 1352 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,1,0,0,0,0|2,0,0]=3 1353 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,1,0,0,0,0|2,0,0]=3 1354 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.1 Cc1ccc(cc1)CNCC#N 2230a_100000174908_100011215382 [0,1,0,0,0,0|1,0,2]=4 1357 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,1,0,0,0,0|2,0,1]=4 1358 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,1,0,0,0,0|2,0,1]=4 1359 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,1,0,0,0,0|2,0,0]=3 1360 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,1,0,0,0,0|2,0,0]=3 1361 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,1,0,0,0,0|2,0,0]=3 1362 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,1,0,0,0,0|2,0,0]=3 1363 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,1,0,0,0,0|2,0,0]=3 1364 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,1,0,0,0,0|2,0,0]=3 1365 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,1,0,0,0,0|2,0,0]=3 1366 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,1,0,0,0,0|2,0,0]=3 1367 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,1,0,0,0,0|2,0,0]=3 1368 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,1,0,0,0,0|1,0,2]=4 1369 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,1,0,0,0,0|2,0,1]=4 1370 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,1,0,0,0,0|2,0,1]=4 1371 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,1,0,0,0,0|2,0,0]=3 1372 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,1,0,0,0,0|2,0,0]=3 1373 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,1,0,0,0,0|2,0,0]=3 1374 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,1,0,0,0,0|1,0,0]=2 1375 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,1,0,0,0,0|2,0,0]=3 1376 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,1,0,0,0,0|2,0,0]=3 1377 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100000210814_100011215382 [0,1,0,0,0,0|1,0,2]=4 1378 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100011215382_100000210814 [0,1,0,0,0,0|1,0,2]=4 1379 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,1,0,0,0,0|2,0,1]=4 1380 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,1,0,0,0,0|2,0,1]=4 1381 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [0,1,0,0,0,0|2,0,0]=3 1382 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [0,1,0,0,0,0|2,0,0]=3 1383 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,1,0,0,0,0|2,0,0]=3 1384 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,1,0,0,0,0|2,0,0]=3 1385 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [0,1,0,0,0,0|2,0,0]=3 1386 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,1,0,0,0,0|2,0,0]=3 1387 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,1,0,0,0,0|1,0,2]=4 1388 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,1,0,0,0,0|2,0,0]=3 1389 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,1,0,0,0,0|2,0,0]=3 1390 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,1,0,0,0,0|2,0,0]=3 1391 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,1,0,0,0,0|2,0,0]=3 1392 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,1,0,0,0,0|3,0,0]=4 1393 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,1,0,0,0,0|3,0,0]=4 1394 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,1,0,0,0,0|3,0,0]=4 1395 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,1,0,0,0,0|3,0,0]=4 1396 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,1,0,0,0,0|3,0,0]=4 1397 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,1,0,0,0,0|3,0,0]=4 1398 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100000186775_100011215226 [0,1,0,0,0,0|1,0,2]=4 1399 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100011215226_100000186775 [0,1,0,0,0,0|1,0,2]=4 1400 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [0,1,0,0,0,0|2,0,0]=3 1401 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [0,1,0,0,0,0|2,0,0]=3 1402 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,1,0,0,0,0|2,0,0]=3 1403 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,1,0,0,0,0|3,0,0]=4 1405 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,1,0,0,0,0|3,0,0]=4 1406 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,1,0,0,0,0|3,0,0]=4 1407 B12R1.1 Cc1ccc(cn1)CCOCF 34a_100011815783_100015361967 [0,1,0,0,0,0|3,0,0]=4 1408 B12R1.1 Cc1ccc(cn1)CNCCF 34a_100000724931_100016987292 [0,1,0,0,0,0|3,0,0]=4 1409 B12R1.1 Cc1ccc(cn1)CNCCF 34a_100000740942_100011217306 [0,1,0,0,0,0|3,0,0]=4 1410 B12R1.1 Cc1ccc(cn1)CNCCO 2230a_100016997473_100016987292 [0,1,0,0,0,0|3,0,0]=4 1411 B12R1.1 Cc1ccc(cn1)CNCCO 270004a_100000210304_100000743784 [0,1,0,0,0,0|3,0,0]=4 1412 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100000740942_100000211926 [0,1,0,0,0,0|3,0,0]=4 1413 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100016990907_100016987292 [0,1,0,0,0,0|3,0,0]=4 1414 B12R1.1 Cc1ccc(cn1)COCCBr 34a_100000211926_100016987292 [0,1,0,0,0,0|3,0,0]=4 1415 B12R1.1 Cc1ccc(cn1)COCCF 34a_100011248133_100011217306 [0,1,0,0,0,0|3,0,0]=4 1416 B12R1.1 Cc1ccc(cn1)COCCN 34a_100000210304_100016987292 [0,1,0,0,0,0|2,0,0]=3 1417 B12R1.1 Cc1ccc(cn1)COCCO 34a_100011248133_100000211926 [0,1,0,0,0,0|3,0,0]=4 1418 B12R1.1 Cc1ccc(cn1)CSCCF 62a_100011217306_100016987292 [0,1,0,0,0,0|3,0,0]=4 1419 B12R1.1 Cc1ccc(cn1)CSCCF 62a_100016987292_100011217306 [0,1,0,0,0,0|3,0,0]=4 1420 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100000211926_100016987292 [0,1,0,0,0,0|3,0,0]=4 1421 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100016987292_100000211926 [0,1,0,0,0,0|3,0,0]=4 1422 B12R1.1 Cc1ccc(cn1)OCCCF 34a_100000745506_100011934791 [0,1,0,0,0,0|3,0,0]=4 1423 B12R1.1 Cc1ccc(cn1)OCCCF 7a_100000745506_100011934791 [0,1,0,0,0,0|3,0,0]=4 1424 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [0,1,0,0,0,0|3,0,0]=4 1425 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [0,1,0,0,0,0|3,0,0]=4 1426 B12R1.1 Cc1ccc(cn1)SCCCF 62a_100000751577_100011934791 [0,1,0,0,0,0|3,0,0]=4 1427 B12R1.1 Cc1ccc(cn1)SCCCF 62a_100011934791_100000751577 [0,1,0,0,0,0|3,0,0]=4 1428 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100000751577_100011215043 [0,1,0,0,0,0|3,0,0]=4 1429 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100011215043_100000751577 [0,1,0,0,0,0|3,0,0]=4 1430 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100000724931_100000691093 [0,1,0,0,0,0|3,0,0]=4 1431 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100015187455_100011217306 [0,1,0,0,0,0|3,0,0]=4 1432 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [0,1,0,0,0,0|3,0,0]=4 1433 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [0,1,0,0,0,0|3,0,0]=4 1434 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [0,1,0,0,0,0|3,0,0]=4 1435 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [0,1,0,0,0,0|3,0,0]=4 1436 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [0,1,0,0,0,0|3,0,0]=4 1437 B12R1.1 Cc1ccc(nc1)COCCBr 34a_100000211926_100000691093 [0,1,0,0,0,0|3,0,0]=4 1438 B12R1.1 Cc1ccc(nc1)COCCF 34a_100012001401_100011217306 [0,1,0,0,0,0|3,0,0]=4 1439 B12R1.1 Cc1ccc(nc1)COCCN 34a_100000210304_100000691093 [0,1,0,0,0,0|2,0,0]=3 1440 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [0,1,0,0,0,0|3,0,0]=4 1441 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100000691093_100011217306 [0,1,0,0,0,0|3,0,0]=4 1442 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100011217306_100000691093 [0,1,0,0,0,0|3,0,0]=4 1443 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [0,1,0,0,0,0|3,0,0]=4 1444 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [0,1,0,0,0,0|3,0,0]=4 1445 B12R1.1 Cc1ccc(nc1)OCCCF 34a_100000759353_100011934791 [0,1,0,0,0,0|3,0,0]=4 1446 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [0,1,0,0,0,0|3,0,0]=4 1447 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011192072_100011934791 [0,1,0,0,0,0|3,0,0]=4 1448 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011934791_100000754016 [0,1,0,0,0,0|3,0,0]=4 1449 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [0,1,0,0,0,0|3,0,0]=4 1450 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [0,1,0,0,0,0|3,0,0]=4 1451 B12R1.1 Cc1cnc(nc1)COCCN 34a_100000210304_100000685645 [0,1,0,0,0,0|3,0,0]=4 1452 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,1,0,0,0,0|2,0,0]=3 1453 B12R1.1 Clc1ccc(cn1)COCCBr 34a_100000211926_100000735431 [0,1,0,0,0,0|3,0,0]=4 1454 B12R1.1 Clc1ccc(nc1)COCCBr 34a_100000211926_100012066911 [0,1,0,0,0,0|3,0,0]=4 1455 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [0,1,0,0,0,0|2,0,0]=3 1456 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [0,1,0,0,0,0|2,0,0]=3 1457 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [0,1,0,0,0,0|2,0,0]=3 1458 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [0,1,0,0,0,0|2,0,0]=3 1459 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [0,1,0,0,0,0|2,0,0]=3 1460 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [0,1,0,0,0,0|2,0,0]=3 1461 B12R1.1 FCCCNc1ccc(cn1)Br 27a_100015189416_100000686858 [0,1,0,0,0,0|3,0,0]=4 1462 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,1,0,0,0,0|2,0,0]=3 1463 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,1,0,0,0,0|2,0,0]=3 1464 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,1,0,0,0,0|2,0,0]=3 1465 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,1,0,0,0,0|2,0,0]=3 1466 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,1,0,0,0,0|2,0,0]=3 1467 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,1,0,0,0,0|2,0,0]=3 1468 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,1,0,0,0,0|2,0,0]=3 1469 B12R1.1 FCCCOc1ccc(cn1)Cl 34a_100011215309_100011934791 [0,1,0,0,0,0|3,0,0]=4 1470 B12R1.1 FCCCOc1ccc(cn1)F 34a_100000742473_100011934791 [0,1,0,0,0,0|3,0,0]=4 1471 B12R1.1 FCCCOc1ccc(nc1)Br 34a_100000685995_100011934791 [0,1,0,0,0,0|3,0,0]=4 1472 B12R1.1 FCCCOc1ccc(nc1)Br 7a_100000685995_100011934791 [0,1,0,0,0,0|3,0,0]=4 1473 B12R1.1 FCCCOc1ccc(nc1)Cl 34a_100000744096_100011934791 [0,1,0,0,0,0|3,0,0]=4 1474 B12R1.1 FCCCOc1ccc(nc1)Cl 7a_100000744096_100011934791 [0,1,0,0,0,0|3,0,0]=4 1475 B12R1.1 FCCCOc1ccc(nc1)F 34a_100000688820_100011934791 [0,1,0,0,0,0|3,0,0]=4 1476 B12R1.1 FCCCOc1ccc(nc1)F 7a_100000688820_100011934791 [0,1,0,0,0,0|3,0,0]=4 1477 B12R1.1 FCCCOc1ccc(nc1)I 34a_100000687607_100011934791 [0,1,0,0,0,0|3,0,0]=4 1478 B12R1.1 FCCCOc1ccc(nc1)I 7a_100000687607_100011934791 [0,1,0,0,0,0|3,0,0]=4 1479 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [0,1,0,0,0,0|2,0,0]=3 1480 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [0,1,0,0,0,0|2,0,0]=3 1481 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [0,1,0,0,0,0|2,0,0]=3 1482 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [0,1,0,0,0,0|2,0,0]=3 1483 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [0,1,0,0,0,0|2,0,0]=3 1484 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [0,1,0,0,0,0|2,0,0]=3 1485 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100000686858_100011934791 [0,1,0,0,0,0|3,0,0]=4 1486 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100011934791_100000686858 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011356976_100011934791 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011934791_100011356976 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.1 FCCCSc1ccc(cn1)F 62a_100000744514_100011934791 [0,1,0,0,0,0|3,0,0]=4 1490 B12R1.1 FCCCSc1ccc(cn1)F 62a_100011934791_100000744514 [0,1,0,0,0,0|3,0,0]=4 1491 B12R1.1 FCCCSc1ccc(nc1)Br 62a_100009814638_100011934791 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.1 FCCCSc1ccc(nc1)Br 62a_100011934791_100009814638 [0,1,0,0,0,0|3,0,0]=4 1493 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100000034144_100011934791 [0,1,0,0,0,0|3,0,0]=4 1494 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100011934791_100000034144 [0,1,0,0,0,0|3,0,0]=4 1495 B12R1.1 FCCCSc1ccc(nc1)F 62a_100000042367_100011934791 [0,1,0,0,0,0|3,0,0]=4 1496 B12R1.1 FCCCSc1ccc(nc1)F 62a_100011934791_100000042367 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,1,0,0,0,0|2,0,0]=3 1498 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,1,0,0,0,0|2,0,0]=3 1499 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,1,0,0,0,0|2,0,0]=3 1500 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,1,0,0,0,0|2,0,0]=3 1501 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,1,0,0,0,0|2,0,0]=3 1502 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,1,0,0,0,0|2,0,0]=3 1503 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,1,0,0,0,0|2,0,0]=3 1505 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,1,0,0,0,0|2,0,0]=3 1506 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,1,0,0,0,0|2,0,0]=3 1507 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,1,0,0,0,0|2,0,0]=3 1508 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,1,0,0,0,0|2,0,0]=3 1509 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100000724931_100000702658 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100015188789_100011217306 [0,1,0,0,0,0|3,0,0]=4 1511 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000697193_100011217306 [0,1,0,0,0,0|3,0,0]=4 1512 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000724931_100012066911 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.1 FCCNCc1ccc(cn1)F 34a_100000724931_100000703193 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.1 FCCNCc1ccc(cn1)F 34a_100020620131_100011217306 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.1 FCCNCc1ccc(nc1)Br 2230a_100009817727_100011217306 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.1 FCCNCc1ccc(nc1)Br 34a_100000724931_100009831999 [0,1,0,0,0,0|3,0,0]=4 1517 B12R1.1 FCCNCc1ccc(nc1)Br 34a_100009817727_100011217306 [0,1,0,0,0,0|3,0,0]=4 1518 B12R1.1 FCCNCc1ccc(nc1)Cl 2230a_100000735879_100011217306 [0,1,0,0,0,0|3,0,0]=4 1519 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000724931_100000735431 [0,1,0,0,0,0|3,0,0]=4 1520 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000735879_100011217306 [0,1,0,0,0,0|3,0,0]=4 1521 B12R1.1 FCCNCc1ccc(nc1)F 2230a_100000101913_100011217306 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.1 FCCNCc1ccc(nc1)F 34a_100000101913_100011217306 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.1 FCCNCc1ccc(nc1)F 34a_100000724931_100000099788 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,1,0,0,0,0|2,0,0]=3 1525 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,1,0,0,0,0|2,0,0]=3 1526 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,1,0,0,0,0|2,0,0]=3 1527 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,1,0,0,0,0|2,0,0]=3 1528 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,1,0,0,0,0|2,0,0]=3 1529 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,1,0,0,0,0|2,0,0]=3 1530 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,1,0,0,0,0|2,0,0]=3 1531 B12R1.1 FCCOCc1ccc(cn1)Br 34a_100000754261_100011217306 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.1 FCCOCc1ccc(cn1)Cl 34a_100000703999_100011217306 [0,1,0,0,0,0|3,0,0]=4 1533 B12R1.1 FCCOCc1ccc(cn1)F 34a_100011999454_100011217306 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.1 FCCOCc1ccc(nc1)Br 34a_100009816760_100011217306 [0,1,0,0,0,0|3,0,0]=4 1535 B12R1.1 FCCOCc1ccc(nc1)Br 7a_100009816760_100011217306 [0,1,0,0,0,0|3,0,0]=4 1536 B12R1.1 FCCOCc1ccc(nc1)Cl 34a_100000755211_100011217306 [0,1,0,0,0,0|3,0,0]=4 1537 B12R1.1 FCCOCc1ccc(nc1)Cl 7a_100000755211_100011217306 [0,1,0,0,0,0|3,0,0]=4 1538 B12R1.1 FCCOCc1ccc(nc1)F 34a_100000079959_100011217306 [0,1,0,0,0,0|3,0,0]=4 1539 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100000189115_100011217306 [0,1,0,0,0,0|2,0,0]=3 1540 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100011217306_100000189115 [0,1,0,0,0,0|2,0,0]=3 1541 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [0,1,0,0,0,0|2,0,0]=3 1542 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [0,1,0,0,0,0|2,0,0]=3 1543 B12R1.1 FCCSCc1ccc(cc1)F 62a_100000198546_100011217306 [0,1,0,0,0,0|2,0,0]=3 1544 B12R1.1 FCCSCc1ccc(cc1)F 62a_100011217306_100000187164 [0,1,0,0,0,0|2,0,0]=3 1545 B12R1.1 FCCSCc1ccc(cc1)I 62a_100000189116_100011217306 [0,1,0,0,0,0|2,0,0]=3 1546 B12R1.1 FCCSCc1ccc(cc1)I 62a_100011217306_100000189116 [0,1,0,0,0,0|2,0,0]=3 1547 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100000702658_100011217306 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100011217306_100000702658 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100011217306_100000697101 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100012066911_100011217306 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.1 FCCSCc1ccc(cn1)F 62a_100000703193_100011217306 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.1 FCCSCc1ccc(cn1)F 62a_100011217306_100000703193 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.1 FCCSCc1ccc(nc1)Br 62a_100009831999_100011217306 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.1 FCCSCc1ccc(nc1)Br 62a_100011217306_100009831999 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100000735431_100011217306 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100011217306_100000735431 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.1 FCCSCc1ccc(nc1)F 62a_100009820150_100011217306 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.1 FCCSCc1ccc(nc1)F 62a_100011217306_100000099788 [0,1,0,0,0,0|3,0,0]=4 1559 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,1,0,0,0,0|2,0,0]=3 1560 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,1,0,0,0,0|2,0,0]=3 1561 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,1,0,0,0,0|2,0,0]=3 1562 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [0,1,0,0,0,0|2,0,0]=3 1563 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [0,1,0,0,0,0|2,0,0]=3 1564 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [0,1,0,0,0,0|2,0,0]=3 1565 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [0,1,0,0,0,0|2,0,0]=3 1566 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [0,1,0,0,0,0|2,0,0]=3 1567 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [0,1,0,0,0,0|2,0,0]=3 1568 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [0,1,0,0,0,0|2,0,0]=3 1569 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [0,1,0,0,0,0|2,0,0]=3 1570 B12R1.1 FCOCCc1ccc(cn1)Br 34a_100012357577_100015361967 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.1 FCOCCc1ccc(nc1)Cl 34a_100009880866_100015361967 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.1 FCOCCc1ccc(nc1)Cl 7a_100009880866_100015361967 [0,1,0,0,0,0|3,0,0]=4 1573 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [0,1,0,0,0,0|2,0,0]=3 1574 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [0,1,0,0,0,0|2,0,0]=3 1575 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [0,1,0,0,0,0|2,0,0]=3 1576 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [0,1,0,0,0,0|2,0,0]=3 1577 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [0,1,0,0,0,0|2,0,0]=3 1578 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [0,1,0,0,0,0|2,0,0]=3 1579 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,1,0,0,0,0|2,0,0]=3 1580 B12R1.1 Fc1ccc(cn1)COCCBr 34a_100000211926_100000099788 [0,1,0,0,0,0|3,0,0]=4 1581 B12R1.1 Fc1ccc(nc1)COCCBr 34a_100000211926_100000703193 [0,1,0,0,0,0|3,0,0]=4 1582 B12R1.1 N#CCCNc1ccc(cc1)Br 2230a_100000210018_100011215226 [0,1,0,0,0,0|1,0,2]=4 1583 B12R1.1 N#CCCNc1ccc(cc1)Cl 2230a_100000210052_100011215226 [0,1,0,0,0,0|1,0,2]=4 1584 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [0,1,0,0,0,0|1,0,2]=4 1585 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [0,1,0,0,0,0|1,0,2]=4 1586 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [0,1,0,0,0,0|1,0,2]=4 1587 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,1,0,0,0,0|1,0,2]=4 1588 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100000752885_100011215226 [0,1,0,0,0,0|1,0,2]=4 1589 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100011215226_100000752885 [0,1,0,0,0,0|1,0,2]=4 1590 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100000755918_100011215226 [0,1,0,0,0,0|1,0,2]=4 1591 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100011215226_100000755918 [0,1,0,0,0,0|1,0,2]=4 1592 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100000211213_100011215226 [0,1,0,0,0,0|1,0,2]=4 1593 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100011215226_100000211213 [0,1,0,0,0,0|1,0,2]=4 1594 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100000185761_100011215226 [0,1,0,0,0,0|1,0,2]=4 1595 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100011215226_100000185761 [0,1,0,0,0,0|1,0,2]=4 1596 B12R1.1 N#CCCSc1ccc(cc1)O 62a_100011215226_100000185759 [0,1,0,0,0,0|1,0,2]=4 1597 B12R1.1 N#CCNCc1ccc(cc1)Br 2230a_100000174875_100011215382 [0,1,0,0,0,0|1,0,2]=4 1598 B12R1.1 N#CCNCc1ccc(cc1)Cl 2230a_100000174871_100011215382 [0,1,0,0,0,0|1,0,2]=4 1599 B12R1.1 N#CCNCc1ccc(cc1)F 2230a_100000174882_100011215382 [0,1,0,0,0,0|1,0,2]=4 1600 B12R1.1 N#CCNCc1ccc(cc1)I 2230a_100016989417_100011215382 [0,1,0,0,0,0|1,0,2]=4 1601 B12R1.1 N#CCOCc1ccc(cc1)Cl 7a_100000211118_100011215382 [0,1,0,0,0,0|1,0,2]=4 1602 B12R1.1 N#CCOCc1ccc(cc1)F 7a_100000210977_100011215382 [0,1,0,0,0,0|1,0,2]=4 1603 B12R1.1 N#CCOCc1ccc(cc1)I 7a_100000690907_100011215382 [0,1,0,0,0,0|1,0,2]=4 1604 B12R1.1 N#CCSCc1ccc(cc1)Br 62a_100000189115_100011215382 [0,1,0,0,0,0|1,0,2]=4 1605 B12R1.1 N#CCSCc1ccc(cc1)Br 62a_100011215382_100000189115 [0,1,0,0,0,0|1,0,2]=4 1606 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100000187161_100011215382 [0,1,0,0,0,0|1,0,2]=4 1607 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100011215382_100000187161 [0,1,0,0,0,0|1,0,2]=4 1608 B12R1.1 N#CCSCc1ccc(cc1)F 62a_100000198546_100011215382 [0,1,0,0,0,0|1,0,2]=4 1609 B12R1.1 N#CCSCc1ccc(cc1)F 62a_100011215382_100000187164 [0,1,0,0,0,0|1,0,2]=4 1610 B12R1.1 N#CCSCc1ccc(cc1)I 62a_100000189116_100011215382 [0,1,0,0,0,0|1,0,2]=4 1611 B12R1.1 N#CCSCc1ccc(cc1)I 62a_100011215382_100000189116 [0,1,0,0,0,0|1,0,2]=4 1612 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,1,0,0,0,0|1,0,0]=2 1613 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,1,0,0,0,0|1,0,0]=2 1614 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,1,0,0,0,0|1,0,0]=2 1615 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,1,0,0,0,0|1,0,0]=2 1616 B12R1.1 NCCOCc1ccc(cn1)Br 34a_100000210304_100000702658 [0,1,0,0,0,0|2,0,0]=3 1617 B12R1.1 NCCOCc1ccc(cn1)Cl 34a_100000210304_100012066911 [0,1,0,0,0,0|2,0,0]=3 1618 B12R1.1 NCCOCc1ccc(cn1)F 34a_100000210304_100000703193 [0,1,0,0,0,0|2,0,0]=3 1619 B12R1.1 NCCOCc1ccc(nc1)Br 34a_100000210304_100009831999 [0,1,0,0,0,0|2,0,0]=3 1620 B12R1.1 NCCOCc1ccc(nc1)Cl 34a_100000210304_100000735431 [0,1,0,0,0,0|2,0,0]=3 1621 B12R1.1 NCCOCc1ccc(nc1)F 34a_100000210304_100000099788 [0,1,0,0,0,0|2,0,0]=3 1622 B12R1.1 NCCOCc1ccc(nn1)Cl 34a_100000210304_100016992710 [0,1,0,0,0,0|3,0,0]=4 1623 B12R1.1 NCCOCc1ncc(cn1)Br 34a_100000210304_100010064664 [0,1,0,0,0,0|3,0,0]=4 1624 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [0,1,0,0,0,0|2,0,0]=3 1625 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,1,0,0,0,0|2,0,1]=4 1626 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,1,0,0,0,0|2,0,0]=3 1627 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,1,0,0,0,0|2,0,0]=3 1628 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,1,0,0,0,0|2,0,0]=3 1629 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,1,0,0,0,0|2,0,0]=3 1630 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [0,1,0,0,0,0|2,0,0]=3 1631 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [0,1,0,0,0,0|2,0,0]=3 1632 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [0,1,0,0,0,0|2,0,0]=3 1633 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [0,1,0,0,0,0|2,0,0]=3 1634 B12R1.1 Nc1ccc(cn1)COCCF 34a_100000704267_100011217306 [0,1,0,0,0,0|3,0,0]=4 1635 B12R1.1 Nc1ccc(cn1)COCCO 34a_100000704267_100000211926 [0,1,0,0,0,0|3,0,0]=4 1636 B12R1.1 Nc1ccc(cn1)OCCCF 34a_100015188713_100011934791 [0,1,0,0,0,0|3,0,0]=4 1637 B12R1.1 Nc1ccc(cn1)OCCCF 7a_100015188713_100011934791 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.1 Nc1ccc(cn1)SCCCF 62a_100000187370_100011934791 [0,1,0,0,0,0|3,0,0]=4 1641 B12R1.1 Nc1ccc(cn1)SCCCF 62a_100011934791_100000187370 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100000187370_100011215043 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100011215043_100000187370 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.1 Nc1ccc(nc1)COCCF 34a_100011998161_100011217306 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.1 Nc1ccc(nc1)OCCCF 34a_100000729260_100011934791 [0,1,0,0,0,0|3,0,0]=4 1647 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [0,1,0,0,0,0|3,0,0]=4 1648 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100000737798_100011934791 [0,1,0,0,0,0|3,0,0]=4 1649 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100011934791_100000737798 [0,1,0,0,0,0|3,0,0]=4 1650 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [0,1,0,0,0,0|3,0,0]=4 1651 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [0,1,0,0,0,0|3,0,0]=4 1652 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,1,0,0,0,0|2,0,1]=4 1653 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,1,0,0,0,0|2,0,1]=4 1654 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,1,0,0,0,0|2,0,1]=4 1655 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,1,0,0,0,0|2,0,1]=4 1656 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,1,0,0,0,0|2,0,1]=4 1657 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,1,0,0,0,0|2,0,1]=4 1658 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,1,0,0,0,0|2,0,1]=4 1659 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,1,0,0,0,0|2,0,1]=4 1660 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,1,0,0,0,0|2,0,1]=4 1661 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,1,0,0,0,0|2,0,1]=4 1662 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,1,0,0,0,0|2,0,1]=4 1663 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,1,0,0,0,0|2,0,1]=4 1664 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,1,0,0,0,0|2,0,1]=4 1665 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,1,0,0,0,0|2,0,1]=4 1666 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,1,0,0,0,0|2,0,1]=4 1667 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,1,0,0,0,0|2,0,1]=4 1668 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,1,0,0,0,0|2,0,1]=4 1669 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,1,0,0,0,0|2,0,1]=4 1670 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,1,0,0,0,0|2,0,1]=4 1671 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,1,0,0,0,0|2,0,1]=4 1672 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,1,0,0,0,0|2,0,1]=4 1673 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,1,0,0,0,0|2,0,1]=4 1674 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,1,0,0,0,0|2,0,1]=4 1675 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,1,0,0,0,0|2,0,1]=4 1676 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,1,0,0,0,0|2,0,1]=4 1677 B12R1.1 O=c1ccc(c[nH]1)COCCF 34a_100011999846_100011217306 [0,1,0,0,0,0|3,0,0]=4 1678 B12R1.1 O=c1ccc(c[nH]1)COCCO 34a_100011999846_100000211926 [0,1,0,0,0,0|3,0,0]=4 1679 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [0,1,0,0,0,0|3,0,0]=4 1680 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [0,1,0,0,0,0|3,0,0]=4 1681 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100000212171_100011934791 [0,1,0,0,0,0|3,0,0]=4 1682 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100011934791_100000212171 [0,1,0,0,0,0|3,0,0]=4 1683 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [0,1,0,0,0,0|3,0,0]=4 1684 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [0,1,0,0,0,0|3,0,0]=4 1685 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [0,1,0,0,0,0|2,0,0]=3 1686 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [0,1,0,0,0,0|2,0,0]=3 1687 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [0,1,0,0,0,0|2,0,0]=3 1688 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [0,1,0,0,0,0|2,0,0]=3 1689 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [0,1,0,0,0,0|2,0,0]=3 1690 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [0,1,0,0,0,0|2,0,0]=3 1691 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,1,0,0,0,0|2,0,0]=3 1692 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [0,1,0,0,0,0|3,0,0]=4 1693 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,1,0,0,0,0|2,0,0]=3 1694 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,1,0,0,0,0|2,0,0]=3 1695 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,1,0,0,0,0|2,0,0]=3 1696 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,1,0,0,0,0|2,0,0]=3 1697 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,1,0,0,0,0|2,0,0]=3 1698 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,1,0,0,0,0|2,0,0]=3 1699 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,1,0,0,0,0|2,0,0]=3 1700 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,1,0,0,0,0|2,0,0]=3 1701 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [0,1,0,0,0,0|3,0,0]=4 1702 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [0,1,0,0,0,0|3,0,0]=4 1703 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [0,1,0,0,0,0|3,0,0]=4 1704 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [0,1,0,0,0,0|3,0,0]=4 1705 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [0,1,0,0,0,0|3,0,0]=4 1706 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [0,1,0,0,0,0|3,0,0]=4 1707 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [0,1,0,0,0,0|3,0,0]=4 1708 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [0,1,0,0,0,0|3,0,0]=4 1709 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [0,1,0,0,0,0|3,0,0]=4 1710 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [0,1,0,0,0,0|3,0,0]=4 1711 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [0,1,0,0,0,0|2,0,0]=3 1712 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [0,1,0,0,0,0|2,0,0]=3 1713 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [0,1,0,0,0,0|2,0,0]=3 1714 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [0,1,0,0,0,0|2,0,0]=3 1715 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [0,1,0,0,0,0|2,0,0]=3 1716 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [0,1,0,0,0,0|2,0,0]=3 1717 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,1,0,0,0,0|2,0,0]=3 1718 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [0,1,0,0,0,0|3,0,0]=4 1719 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [0,1,0,0,0,0|3,0,0]=4 1720 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [0,1,0,0,0,0|3,0,0]=4 1721 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [0,1,0,0,0,0|3,0,0]=4 1722 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [0,1,0,0,0,0|3,0,0]=4 1723 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [0,1,0,0,0,0|3,0,0]=4 1724 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [0,1,0,0,0,0|3,0,0]=4 1725 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [0,1,0,0,0,0|3,0,0]=4 1726 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100009814638_100011215043 [0,1,0,0,0,0|3,0,0]=4 1727 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100011215043_100009814638 [0,1,0,0,0,0|3,0,0]=4 1728 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100000034144_100011215043 [0,1,0,0,0,0|3,0,0]=4 1729 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100011215043_100000034144 [0,1,0,0,0,0|3,0,0]=4 1730 B12R1.1 OCCCSc1ccc(nc1)F 62a_100000042367_100011215043 [0,1,0,0,0,0|3,0,0]=4 1731 B12R1.1 OCCCSc1ccc(nc1)F 62a_100011215043_100000042367 [0,1,0,0,0,0|3,0,0]=4 1732 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,1,0,0,0,0|2,0,0]=3 1733 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,1,0,0,0,0|2,0,0]=3 1734 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,1,0,0,0,0|2,0,0]=3 1735 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,1,0,0,0,0|2,0,0]=3 1736 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,1,0,0,0,0|2,0,0]=3 1737 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,1,0,0,0,0|2,0,0]=3 1738 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,1,0,0,0,0|2,0,0]=3 1739 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,1,0,0,0,0|2,0,0]=3 1740 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,1,0,0,0,0|2,0,0]=3 1741 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,1,0,0,0,0|2,0,0]=3 1742 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,1,0,0,0,0|2,0,0]=3 1743 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,1,0,0,0,0|2,0,0]=3 1744 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,1,0,0,0,0|2,0,0]=3 1745 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,1,0,0,0,0|2,0,0]=3 1746 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,1,0,0,0,0|2,0,0]=3 1747 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,1,0,0,0,0|2,0,0]=3 1748 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,1,0,0,0,0|2,0,0]=3 1749 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,1,0,0,0,0|2,0,0]=3 1750 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,1,0,0,0,0|2,0,0]=3 1751 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,1,0,0,0,0|2,0,0]=3 1752 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,1,0,0,0,0|2,0,0]=3 1753 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,1,0,0,0,0|2,0,0]=3 1754 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,1,0,0,0,0|2,0,0]=3 1755 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,1,0,0,0,0|2,0,0]=3 1756 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,1,0,0,0,0|2,0,0]=3 1757 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [0,1,0,0,0,0|3,0,0]=4 1758 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [0,1,0,0,0,0|3,0,0]=4 1759 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [0,1,0,0,0,0|3,0,0]=4 1760 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [0,1,0,0,0,0|3,0,0]=4 1761 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [0,1,0,0,0,0|3,0,0]=4 1762 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [0,1,0,0,0,0|3,0,0]=4 1763 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [0,1,0,0,0,0|3,0,0]=4 1764 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [0,1,0,0,0,0|3,0,0]=4 1767 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [0,1,0,0,0,0|3,0,0]=4 1768 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [0,1,0,0,0,0|3,0,0]=4 1769 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [0,1,0,0,0,0|3,0,0]=4 1770 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [0,1,0,0,0,0|3,0,0]=4 1772 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100009817727_100000211926 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100016997473_100009831999 [0,1,0,0,0,0|3,0,0]=4 1774 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100009817727_100000211926 [0,1,0,0,0,0|3,0,0]=4 1775 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100016990907_100009831999 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100000735879_100000211926 [0,1,0,0,0,0|3,0,0]=4 1777 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100016997473_100000735431 [0,1,0,0,0,0|3,0,0]=4 1778 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100000735879_100000211926 [0,1,0,0,0,0|3,0,0]=4 1779 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100016990907_100000735431 [0,1,0,0,0,0|3,0,0]=4 1780 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100000101913_100000211926 [0,1,0,0,0,0|3,0,0]=4 1781 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100016997473_100009820150 [0,1,0,0,0,0|3,0,0]=4 1782 B12R1.1 OCCNCc1ccc(nc1)F 34a_100000101913_100000211926 [0,1,0,0,0,0|3,0,0]=4 1783 B12R1.1 OCCNCc1ccc(nc1)F 34a_100016990907_100000099788 [0,1,0,0,0,0|3,0,0]=4 1784 B12R1.1 OCCNCc1ccc(nc1)O 207a_100000210304_100011361521 [0,1,0,0,0,0|3,0,0]=4 1785 B12R1.1 OCCNCc1ccc(nc1)O 2230a_100000757128_100000211926 [0,1,0,0,0,0|3,0,0]=4 1786 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,1,0,0,0,0|2,0,0]=3 1787 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,1,0,0,0,0|2,0,0]=3 1788 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,1,0,0,0,0|2,0,0]=3 1789 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,1,0,0,0,0|2,0,0]=3 1790 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,1,0,0,0,0|2,0,0]=3 1791 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,1,0,0,0,0|2,0,0]=3 1792 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,1,0,0,0,0|2,0,0]=3 1793 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [0,1,0,0,0,0|3,0,0]=4 1794 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [0,1,0,0,0,0|3,0,0]=4 1795 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [0,1,0,0,0,0|3,0,0]=4 1796 B12R1.1 OCCOCc1ccc(nc1)Br 34a_100009816760_100000211926 [0,1,0,0,0,0|3,0,0]=4 1797 B12R1.1 OCCOCc1ccc(nc1)Br 7a_100009816760_100000211926 [0,1,0,0,0,0|3,0,0]=4 1798 B12R1.1 OCCOCc1ccc(nc1)Cl 34a_100000755211_100000211926 [0,1,0,0,0,0|3,0,0]=4 1799 B12R1.1 OCCOCc1ccc(nc1)Cl 7a_100000755211_100000211926 [0,1,0,0,0,0|3,0,0]=4 1800 B12R1.1 OCCOCc1ccc(nc1)F 34a_100000079959_100000211926 [0,1,0,0,0,0|3,0,0]=4 1801 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [0,1,0,0,0,0|2,0,0]=3 1802 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [0,1,0,0,0,0|2,0,0]=3 1803 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [0,1,0,0,0,0|2,0,0]=3 1804 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [0,1,0,0,0,0|2,0,0]=3 1805 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [0,1,0,0,0,0|2,0,0]=3 1806 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [0,1,0,0,0,0|2,0,0]=3 1807 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [0,1,0,0,0,0|2,0,0]=3 1808 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [0,1,0,0,0,0|2,0,0]=3 1809 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [0,1,0,0,0,0|3,0,0]=4 1810 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [0,1,0,0,0,0|3,0,0]=4 1811 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [0,1,0,0,0,0|3,0,0]=4 1812 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [0,1,0,0,0,0|3,0,0]=4 1813 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [0,1,0,0,0,0|3,0,0]=4 1814 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [0,1,0,0,0,0|3,0,0]=4 1815 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100000211926_100009831999 [0,1,0,0,0,0|3,0,0]=4 1816 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100009831999_100000211926 [0,1,0,0,0,0|3,0,0]=4 1817 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000211926_100000735431 [0,1,0,0,0,0|3,0,0]=4 1818 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000735431_100000211926 [0,1,0,0,0,0|3,0,0]=4 1819 B12R1.1 OCCSCc1ccc(nc1)F 62a_100000211926_100000099788 [0,1,0,0,0,0|3,0,0]=4 1820 B12R1.1 OCCSCc1ccc(nc1)F 62a_100009820150_100000211926 [0,1,0,0,0,0|3,0,0]=4 1821 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,1,0,0,0,0|2,0,0]=3 1822 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,1,0,0,0,0|2,0,0]=3 1823 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,1,0,0,0,0|2,0,0]=3 1824 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,1,0,0,0,0|2,0,0]=3 1825 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [0,1,0,0,0,0|2,0,0]=3 1826 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [0,1,0,0,0,0|2,0,0]=3 1827 B12R1.1 Oc1ccc(cn1)CNCCF 2230a_100000757128_100011217306 [0,1,0,0,0,0|3,0,0]=4 1828 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100000685995_100011934791 [0,1,0,0,0,0|3,0,0]=4 1829 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100011934791_100000744096 [0,1,0,0,0,0|3,0,0]=4 1830 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,1,0,0,0,0|2,0,0]=3 1831 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,1,0,0,0,0|2,0,0]=3 1832 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,1,0,0,0,0|2,0,0]=3 1833 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,1,0,0,0,0|2,0,0]=3 1834 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,1,0,0,0,0|2,0,0]=3 1835 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,1,0,0,0,0|2,0,0]=3 1836 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,1,0,0,0,0|3,0,0]=4 1837 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,1,0,0,0,0|3,0,0]=4 1838 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,1,0,0,0,0|3,0,0]=4 1839 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,1,0,0,0,0|3,0,0]=4 1840 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,1,0,0,0,0|3,0,0]=4 1841 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,1,0,0,0,0|3,0,0]=4 1842 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [0,1,0,0,0,0|3,0,0]=4 1843 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [0,1,0,0,0,0|3,0,0]=4 1844 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,1,0,0,0,0|2,0,0]=3 1845 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,1,0,0,0,0|2,0,0]=3 1846 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,1,0,0,0,0|2,0,0]=3 1847 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,1,0,0,0,0|2,0,0]=3 1848 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,1,0,0,0,0|2,0,0]=3 1849 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,1,0,0,0,0|2,0,0]=3 1850 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,1,0,0,0,0|3,0,0]=4 1851 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,1,0,0,0,0|3,0,0]=4 1852 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,1,0,0,0,0|3,0,0]=4 1853 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,1,0,0,0,0|3,0,0]=4 1854 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,1,0,0,0,0|3,0,0]=4 1855 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [0,1,0,0,0,0|3,0,0]=4 1856 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [0,1,0,0,0,0|3,0,0]=4 1857 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [0,1,0,0,0,0|3,0,0]=4 1858 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [0,1,0,0,0,0|3,0,0]=4 1859 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,1,0,0,0,0|2,0,0]=3 1860 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,1,0,0,0,0|2,0,0]=3 1861 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,1,0,0,0,0|2,0,0]=3 1862 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,1,0,0,0,0|2,0,0]=3 1863 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,1,0,0,0,0|2,0,0]=3 1864 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,1,0,0,0,0|2,0,0]=3 1865 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,1,0,0,0,0|3,0,0]=4 1866 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,1,0,0,0,0|3,0,0]=4 1867 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,1,0,0,0,0|3,0,0]=4 1868 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,1,0,0,0,0|3,0,0]=4 1869 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,1,0,0,0,0|3,0,0]=4 1870 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,1,0,0,0,0|3,0,0]=4 1871 B12R1.1 [O-][n+]1ccc(cc1)COCCF 34a_100000031831_100011217306 [0,1,0,0,0,0|3,0,0]=4 1872 B12R1.1 [O-][n+]1ccc(cc1)COCCF 7a_100000031831_100011217306 [0,1,0,0,0,0|3,0,0]=4 1873 B12R1.1 [O-][n+]1ccc(cc1)COCCO 34a_100000031831_100000211926 [0,1,0,0,0,0|3,0,0]=4 1874 B12R1.1 [O-][n+]1ccc(cc1)COCCO 7a_100000031831_100000211926 [0,1,0,0,0,0|3,0,0]=4 1875 B12R1.1 [O-][n+]1ccc(cc1)SCCCF 62a_100011934791_100000039755 [0,1,0,0,0,0|3,0,0]=4 1876 B12R1.1 [O-][n+]1ccc(cc1)SCCCO 62a_100011215043_100000039755 [0,1,0,0,0,0|3,0,0]=4 1877 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,1,0,0,0,0|1,0,0]=2 1878 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,1,0,0,0,0|2,0,0]=3 1879 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,1,0,0,0,0|2,0,0]=3 1880 B12R1.8 BrCCCOCc1cccnn1 34a_100011217188_100016990269 [0,1,0,0,0,0|3,0,0]=4 1881 B12R1.8 BrCCCOCc1cnccn1 34a_100011217188_100016995436 [0,1,0,0,0,0|3,0,0]=4 1882 B12R1.8 BrCCCOCc1cncnc1 34a_100011217188_100015196519 [0,1,0,0,0,0|3,0,0]=4 1883 B12R1.8 BrCCCOCc1ncccn1 34a_100011217188_100000703007 [0,1,0,0,0,0|3,0,0]=4 1884 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,1,0,0,0,0|1,0,0]=2 1885 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [0,1,0,0,0,0|1,0,1]=3 1886 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,1,0,0,0,0|1,0,1]=3 1887 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,1,0,0,0,0|1,0,1]=3 1888 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [0,1,0,0,0,0|2,0,1]=4 1889 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [0,1,0,0,0,0|2,0,1]=4 1890 B12R1.8 C#CCCCOc1ccncc1 34a_100000212176_100000695029 [0,1,0,0,0,0|2,0,1]=4 1891 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [0,1,0,0,0,0|1,0,1]=3 1892 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [0,1,0,0,0,0|1,0,1]=3 1893 B12R1.8 C#CCCCSc1ccccn1 62a_100011215417_100011216584 [0,1,0,0,0,0|2,0,1]=4 1894 B12R1.8 C#CCCCSc1ccccn1 62a_100011216584_100011215417 [0,1,0,0,0,0|2,0,1]=4 1895 B12R1.8 C#CCCCSc1cccnc1 62a_100000210063_100011215417 [0,1,0,0,0,0|2,0,1]=4 1896 B12R1.8 C#CCCCSc1cccnc1 62a_100011215417_100000210063 [0,1,0,0,0,0|2,0,1]=4 1897 B12R1.8 C#CCCCSc1ccncc1 62a_100000728582_100011215417 [0,1,0,0,0,0|2,0,1]=4 1898 B12R1.8 C#CCCCSc1ccncc1 62a_100011215417_100000728582 [0,1,0,0,0,0|2,0,1]=4 1899 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,1,0,0,0,0|1,0,1]=3 1900 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,1,0,0,0,0|1,0,1]=3 1901 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,1,0,0,0,0|1,0,1]=3 1902 B12R1.8 C#CCCNCc1ccccn1 34a_100000755551_100000721315 [0,1,0,0,0,0|2,0,1]=4 1903 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [0,1,0,0,0,0|2,0,1]=4 1904 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,1,0,0,0,0|1,0,1]=3 1905 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,1,0,0,0,0|1,0,1]=3 1906 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,1,0,0,0,0|1,0,1]=3 1907 B12R1.8 C#CCCOCc1ccccn1 34a_100011215631_100000721315 [0,1,0,0,0,0|2,0,1]=4 1908 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [0,1,0,0,0,0|2,0,1]=4 1909 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [0,1,0,0,0,0|1,0,1]=3 1910 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [0,1,0,0,0,0|1,0,1]=3 1911 B12R1.8 C#CCCSCc1ccccn1 62a_100000688953_100000721315 [0,1,0,0,0,0|2,0,1]=4 1912 B12R1.8 C#CCCSCc1ccccn1 62a_100000721315_100000688953 [0,1,0,0,0,0|2,0,1]=4 1913 B12R1.8 C#CCCSCc1cccnc1 62a_100000688953_100000741622 [0,1,0,0,0,0|2,0,1]=4 1914 B12R1.8 C#CCCSCc1cccnc1 62a_100000741622_100000688953 [0,1,0,0,0,0|2,0,1]=4 1915 B12R1.8 C#CCCSCc1ccncc1 62a_100000688953_100015193705 [0,1,0,0,0,0|2,0,1]=4 1916 B12R1.8 C#CCCSCc1ccncc1 62a_100015193705_100000688953 [0,1,0,0,0,0|2,0,1]=4 1917 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,1,0,0,0,0|1,0,1]=3 1918 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,1,0,0,0,0|1,0,1]=3 1919 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,1,0,0,0,0|1,0,1]=3 1920 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,1,0,0,0,0|2,0,1]=4 1921 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,1,0,0,0,0|1,0,1]=3 1922 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,1,0,0,0,0|1,0,1]=3 1923 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,1,0,0,0,0|1,0,1]=3 1924 B12R1.8 C#CCOCCc1ccccn1 34a_100000210271_100000184674 [0,1,0,0,0,0|2,0,1]=4 1925 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [0,1,0,0,0,0|2,0,1]=4 1926 B12R1.8 C#CCOCCc1ccncc1 34a_100011216225_100000184674 [0,1,0,0,0,0|2,0,1]=4 1927 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [0,1,0,0,0,0|1,0,1]=3 1928 B12R1.8 C#CCSCCc1ccccn1 62a_100000038162_100015183660 [0,1,0,0,0,0|2,0,1]=4 1929 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [0,1,0,0,0,0|2,0,1]=4 1930 B12R1.8 C#CCSCCc1ccncc1 62a_100000038162_100000723409 [0,1,0,0,0,0|2,0,1]=4 1931 B12R1.8 C#CCSCSc1ccccc1 62a_100000038162_100011218342 [0,1,0,0,0,0|2,0,1]=4 1932 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,1,0,0,0,0|1,0,2]=4 1933 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,1,0,0,0,0|1,0,2]=4 1934 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,1,0,0,0,0|1,0,2]=4 1935 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,1,0,0,0,0|1,0,2]=4 1936 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,1,0,0,0,0|1,0,2]=4 1937 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,1,0,0,0,0|1,0,2]=4 1938 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,1,0,0,0,0|1,0,1]=3 1939 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,1,0,0,0,0|1,0,1]=3 1940 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,1,0,0,0,0|1,0,1]=3 1941 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,1,0,0,0,0|2,0,1]=4 1942 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,1,0,0,0,0|2,0,1]=4 1943 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [0,1,0,0,0,0|2,0,1]=4 1944 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,1,0,0,0,0|1,0,1]=3 1945 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,1,0,0,0,0|1,0,1]=3 1946 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [0,1,0,0,0,0|2,0,1]=4 1947 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [0,1,0,0,0,0|2,0,1]=4 1948 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,1,0,0,0,0|2,0,1]=4 1949 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,1,0,0,0,0|2,0,1]=4 1950 B12R1.8 C=CCCCSc1ccncc1 62a_100000728582_100000757094 [0,1,0,0,0,0|2,0,1]=4 1951 B12R1.8 C=CCCCSc1ccncc1 62a_100011713584_100000728582 [0,1,0,0,0,0|2,0,1]=4 1952 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,1,0,0,0,0|1,0,1]=3 1953 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,1,0,0,0,0|1,0,1]=3 1954 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,1,0,0,0,0|1,0,1]=3 1955 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,1,0,0,0,0|1,0,1]=3 1956 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,1,0,0,0,0|1,0,1]=3 1957 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,1,0,0,0,0|2,0,1]=4 1958 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,1,0,0,0,0|2,0,1]=4 1959 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,1,0,0,0,0|2,0,1]=4 1960 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,1,0,0,0,0|2,0,1]=4 1961 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,1,0,0,0,0|2,0,1]=4 1962 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,1,0,0,0,0|2,0,1]=4 1963 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [0,1,0,0,0,0|2,0,1]=4 1964 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [0,1,0,0,0,0|2,0,1]=4 1965 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,1,0,0,0,0|1,0,1]=3 1966 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,1,0,0,0,0|1,0,1]=3 1967 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,1,0,0,0,0|1,0,1]=3 1968 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,1,0,0,0,0|2,0,1]=4 1969 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,1,0,0,0,0|2,0,1]=4 1970 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,1,0,0,0,0|1,0,1]=3 1971 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,1,0,0,0,0|1,0,1]=3 1972 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [0,1,0,0,0,0|2,0,1]=4 1973 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [0,1,0,0,0,0|2,0,1]=4 1974 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,1,0,0,0,0|2,0,1]=4 1975 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,1,0,0,0,0|2,0,1]=4 1976 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [0,1,0,0,0,0|2,0,1]=4 1977 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [0,1,0,0,0,0|2,0,1]=4 1978 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,1,0,0,0,0|1,0,1]=3 1979 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,1,0,0,0,0|1,0,1]=3 1980 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,1,0,0,0,0|1,0,1]=3 1981 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,1,0,0,0,0|2,0,1]=4 1982 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,1,0,0,0,0|2,0,1]=4 1983 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,1,0,0,0,0|2,0,1]=4 1984 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,1,0,0,0,0|2,0,1]=4 1985 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,1,0,0,0,0|2,0,1]=4 1986 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,1,0,0,0,0|1,0,1]=3 1987 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,1,0,0,0,0|1,0,1]=3 1988 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,1,0,0,0,0|1,0,1]=3 1989 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [0,1,0,0,0,0|2,0,1]=4 1990 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,1,0,0,0,0|2,0,1]=4 1991 B12R1.8 C=CCOCCc1ccncc1 34a_100011216225_100015514636 [0,1,0,0,0,0|2,0,1]=4 1992 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,1,0,0,0,0|1,0,1]=3 1993 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,1,0,0,0,0|1,0,1]=3 1994 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [0,1,0,0,0,0|2,0,1]=4 1995 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [0,1,0,0,0,0|2,0,1]=4 1996 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,1,0,0,0,0|2,0,1]=4 1997 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,1,0,0,0,0|2,0,1]=4 1998 B12R1.8 C=CCSCCc1ccncc1 62a_100000210623_100000723409 [0,1,0,0,0,0|2,0,1]=4 1999 B12R1.8 C=CCSCCc1ccncc1 62a_100000723409_100000210623 [0,1,0,0,0,0|2,0,1]=4 2000 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,1,0,0,0,0|2,0,1]=4 2001 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,1,0,0,0,0|2,0,1]=4 2002 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,1,0,0,0,0|2,0,1]=4 2003 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,1,0,0,0,0|2,0,1]=4 2004 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,1,0,0,0,0|2,0,1]=4 2005 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,1,0,0,0,0|2,0,1]=4 2006 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,1,0,0,0,0|2,0,1]=4 2007 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,1,0,0,0,0|1,0,2]=4 2008 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,1,0,0,0,0|1,0,2]=4 2009 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,1,0,0,0,0|1,0,2]=4 2010 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,1,0,0,0,0|1,0,2]=4 2011 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,1,0,0,0,0|1,0,2]=4 2012 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,1,0,0,0,0|1,0,2]=4 2013 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,1,0,0,0,0|1,0,2]=4 2014 B12R1.8 CC#CCSCc1ccccc1 62a_100000211182_100000748600 [0,1,0,0,0,0|1,0,2]=4 2015 B12R1.8 CC#CCSCc1ccccc1 62a_100000748600_100015291786 [0,1,0,0,0,0|1,0,2]=4 2016 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,1,0,0,0,0|1,0,2]=4 2017 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,1,0,0,0,0|1,0,2]=4 2018 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,1,0,0,0,0|1,0,2]=4 2019 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,1,0,0,0,0|1,0,2]=4 2020 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,1,0,0,0,0|1,0,2]=4 2021 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,1,0,0,0,0|1,0,2]=4 2022 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,1,0,0,0,0|1,0,2]=4 2023 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,1,0,0,0,0|1,0,2]=4 2024 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,1,0,0,0,0|1,0,2]=4 2025 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,1,0,0,0,0|1,0,2]=4 2026 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,1,0,0,0,0|1,0,2]=4 2027 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,1,0,0,0,0|2,0,1]=4 2028 B12R1.8 CCC#CCNc1ccccc1 34a_100000106764_100009813939 [0,1,0,0,0,0|1,0,2]=4 2029 B12R1.8 CCC#CCOc1ccccc1 34a_100000210340_100009813939 [0,1,0,0,0,0|1,0,2]=4 2030 B12R1.8 CCC#CCOc1ccccc1 7a_100000210340_100009813939 [0,1,0,0,0,0|1,0,2]=4 2031 B12R1.8 CCC#CCSc1ccccc1 62a_100000719477_100009813939 [0,1,0,0,0,0|1,0,2]=4 2032 B12R1.8 CCC#CCSc1ccccc1 62a_100009813939_100000041952 [0,1,0,0,0,0|1,0,2]=4 2033 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,1,0,0,0,0|2,0,1]=4 2034 B12R1.8 CCCC=NNc1ccccc1 4a_100015195140_100000185831 [0,1,0,0,0,0|2,0,1]=4 2035 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,1,0,0,0,0|1,0,1]=3 2036 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,1,0,0,0,0|2,0,1]=4 2037 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,1,0,0,0,0|2,0,1]=4 2038 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [0,1,0,0,0,0|2,0,1]=4 2039 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,1,0,0,0,0|1,0,0]=2 2040 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,1,0,0,0,0|3,0,0]=4 2041 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [0,1,0,0,0,0|3,0,0]=4 2042 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,1,0,0,0,0|3,0,0]=4 2043 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [0,1,0,0,0,0|3,0,0]=4 2044 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,1,0,0,0,0|1,0,0]=2 2045 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,1,0,0,0,0|1,0,0]=2 2046 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,1,0,0,0,0|2,0,0]=3 2047 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,1,0,0,0,0|2,0,0]=3 2048 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,1,0,0,0,0|2,0,0]=3 2049 B12R1.8 CCCCCOc1ccnnc1 34a_100015204005_100000718602 [0,1,0,0,0,0|3,0,0]=4 2050 B12R1.8 CCCCCOc1cncnc1 7a_100000754086_100000210326 [0,1,0,0,0,0|3,0,0]=4 2051 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,1,0,0,0,0|1,0,0]=2 2052 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,1,0,0,0,0|1,0,0]=2 2053 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,1,0,0,0,0|2,0,0]=3 2054 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,1,0,0,0,0|2,0,0]=3 2055 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,1,0,0,0,0|2,0,0]=3 2056 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,1,0,0,0,0|2,0,0]=3 2057 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,1,0,0,0,0|3,0,0]=4 2058 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,1,0,0,0,0|3,0,0]=4 2059 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [0,1,0,0,0,0|2,0,0]=3 2060 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [0,1,0,0,0,0|2,0,0]=3 2061 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [0,1,0,0,0,0|3,0,0]=4 2062 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [0,1,0,0,0,0|3,0,0]=4 2063 B12R1.8 CCCCCSc1ccnnc1 62a_100000210326_100000732662 [0,1,0,0,0,0|3,0,0]=4 2064 B12R1.8 CCCCCSc1ccnnc1 62a_100000732662_100000210326 [0,1,0,0,0,0|3,0,0]=4 2065 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,1,0,0,0,0|3,0,0]=4 2066 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,1,0,0,0,0|3,0,0]=4 2067 B12R1.8 CCCCCSc1cncnc1 62a_100000210326_100011206942 [0,1,0,0,0,0|3,0,0]=4 2068 B12R1.8 CCCCCSc1cncnc1 62a_100011206942_100000210326 [0,1,0,0,0,0|3,0,0]=4 2069 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [0,1,0,0,0,0|3,0,0]=4 2070 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [0,1,0,0,0,0|3,0,0]=4 2071 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,1,0,0,0,0|1,0,0]=2 2072 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,1,0,0,0,0|1,0,0]=2 2073 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,1,0,0,0,0|1,0,0]=2 2074 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,1,0,0,0,0|1,0,0]=2 2075 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,1,0,0,0,0|1,0,0]=2 2076 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,1,0,0,0,0|1,0,0]=2 2077 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,1,0,0,0,0|2,0,0]=3 2078 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,1,0,0,0,0|2,0,0]=3 2079 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,1,0,0,0,0|2,0,0]=3 2080 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,1,0,0,0,0|2,0,0]=3 2081 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,1,0,0,0,0|2,0,0]=3 2082 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,1,0,0,0,0|2,0,0]=3 2083 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,1,0,0,0,0|2,0,0]=3 2084 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,1,0,0,0,0|2,0,0]=3 2085 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,1,0,0,0,0|3,0,0]=4 2086 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,1,0,0,0,0|3,0,0]=4 2087 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,1,0,0,0,0|3,0,0]=4 2088 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,1,0,0,0,0|2,0,0]=3 2089 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,1,0,0,0,0|2,0,0]=3 2090 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,1,0,0,0,0|2,0,0]=3 2091 B12R1.8 CCCCNCc1ccnnc1 270004a_100000102301_100011934578 [0,1,0,0,0,0|3,0,0]=4 2092 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,1,0,0,0,0|3,0,0]=4 2093 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,1,0,0,0,0|3,0,0]=4 2094 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,1,0,0,0,0|3,0,0]=4 2095 B12R1.8 CCCCNCc1cncnc1 2230a_100000102301_100015196519 [0,1,0,0,0,0|3,0,0]=4 2096 B12R1.8 CCCCNCc1cncnc1 2230a_100011243677_100000210211 [0,1,0,0,0,0|3,0,0]=4 2097 B12R1.8 CCCCNCc1cncnc1 270004a_100000102301_100000749868 [0,1,0,0,0,0|3,0,0]=4 2098 B12R1.8 CCCCNCc1cncnc1 7a_106832991798_100015196519 [0,1,0,0,0,0|3,0,0]=4 2099 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,1,0,0,0,0|3,0,0]=4 2100 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,1,0,0,0,0|3,0,0]=4 2101 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,1,0,0,0,0|3,0,0]=4 2102 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,1,0,0,0,0|1,0,0]=2 2103 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,1,0,0,0,0|1,0,0]=2 2104 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,1,0,0,0,0|1,0,0]=2 2105 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,1,0,0,0,0|1,0,0]=2 2106 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,1,0,0,0,0|2,0,0]=3 2107 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,1,0,0,0,0|2,0,0]=3 2108 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,1,0,0,0,0|2,0,0]=3 2109 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,1,0,0,0,0|2,0,0]=3 2110 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,1,0,0,0,0|3,0,0]=4 2111 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,1,0,0,0,0|3,0,0]=4 2112 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,1,0,0,0,0|2,0,0]=3 2113 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,1,0,0,0,0|3,0,0]=4 2114 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,1,0,0,0,0|3,0,0]=4 2115 B12R1.8 CCCCOCc1cncnc1 34a_100000210227_100015196519 [0,1,0,0,0,0|3,0,0]=4 2116 B12R1.8 CCCCOCc1cncnc1 7a_100000210227_100015196519 [0,1,0,0,0,0|3,0,0]=4 2117 B12R1.8 CCCCOCc1ncccn1 34a_100000210227_100000703007 [0,1,0,0,0,0|3,0,0]=4 2118 B12R1.8 CCCCOCc1ncccn1 7a_100000210227_100000703007 [0,1,0,0,0,0|3,0,0]=4 2119 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,1,0,0,0,0|1,0,0]=2 2120 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,1,0,0,0,0|1,0,0]=2 2121 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,1,0,0,0,0|2,0,0]=3 2122 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,1,0,0,0,0|2,0,0]=3 2123 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,1,0,0,0,0|2,0,0]=3 2124 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,1,0,0,0,0|2,0,0]=3 2125 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,1,0,0,0,0|3,0,0]=4 2126 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,1,0,0,0,0|3,0,0]=4 2127 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,1,0,0,0,0|2,0,0]=3 2128 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,1,0,0,0,0|2,0,0]=3 2129 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,1,0,0,0,0|3,0,0]=4 2130 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,1,0,0,0,0|3,0,0]=4 2131 B12R1.8 CCCCSCc1cncnc1 62a_100000210211_100015196519 [0,1,0,0,0,0|3,0,0]=4 2132 B12R1.8 CCCCSCc1cncnc1 62a_100015196519_100000210210 [0,1,0,0,0,0|3,0,0]=4 2133 B12R1.8 CCCCSCc1ncccn1 62a_100000210211_100000703007 [0,1,0,0,0,0|3,0,0]=4 2134 B12R1.8 CCCCSCc1ncccn1 62a_100000703007_100000210210 [0,1,0,0,0,0|3,0,0]=4 2135 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,1,0,0,0,0|1,0,0]=2 2136 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,1,0,0,0,0|1,0,0]=2 2137 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,1,0,0,0,0|2,0,0]=3 2138 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [0,1,0,0,0,0|2,0,1]=4 2139 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,1,0,0,0,0|1,0,0]=2 2140 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,1,0,0,0,0|1,0,0]=2 2141 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,1,0,0,0,0|1,0,0]=2 2142 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,1,0,0,0,0|2,0,0]=3 2143 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,1,0,0,0,0|2,0,0]=3 2144 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,1,0,0,0,0|2,0,0]=3 2145 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,1,0,0,0,0|3,0,0]=4 2146 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,1,0,0,0,0|3,0,0]=4 2147 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,1,0,0,0,0|1,0,0]=2 2148 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,1,0,0,0,0|1,0,0]=2 2149 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,1,0,0,0,0|2,0,0]=3 2150 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,1,0,0,0,0|2,0,0]=3 2151 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,1,0,0,0,0|2,0,0]=3 2152 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,1,0,0,0,0|2,0,0]=3 2153 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [0,1,0,0,0,0|2,0,0]=3 2154 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [0,1,0,0,0,0|2,0,0]=3 2155 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,1,0,0,0,0|2,0,0]=3 2156 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,1,0,0,0,0|2,0,0]=3 2157 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,1,0,0,0,0|1,0,2]=4 2158 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,1,0,0,0,0|1,0,2]=4 2159 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,1,0,0,0,0|1,0,2]=4 2160 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,1,0,0,0,0|1,0,2]=4 2161 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,1,0,0,0,0|1,0,2]=4 2162 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,1,0,0,0,0|1,0,2]=4 2163 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,1,0,0,0,0|1,0,0]=2 2164 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,1,0,0,0,0|1,0,0]=2 2165 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,1,0,0,0,0|1,0,0]=2 2166 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,1,0,0,0,0|2,0,0]=3 2167 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,1,0,0,0,0|2,0,0]=3 2168 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,1,0,0,0,0|2,0,0]=3 2169 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,1,0,0,0,0|2,0,0]=3 2170 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,1,0,0,0,0|2,0,0]=3 2171 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,1,0,0,0,0|2,0,0]=3 2172 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,1,0,0,0,0|2,0,0]=3 2173 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,1,0,0,0,0|3,0,0]=4 2174 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,1,0,0,0,0|3,0,0]=4 2175 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,1,0,0,0,0|2,0,0]=3 2176 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,1,0,0,0,0|2,0,0]=3 2177 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,1,0,0,0,0|2,0,0]=3 2178 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,1,0,0,0,0|2,0,0]=3 2179 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,1,0,0,0,0|2,0,1]=4 2180 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,1,0,0,0,0|1,0,2]=4 2181 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,1,0,0,0,0|1,0,2]=4 2182 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [0,1,0,0,0,0|1,0,2]=4 2183 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [0,1,0,0,0,0|1,0,2]=4 2184 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [0,1,0,0,0,0|1,0,2]=4 2185 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,1,0,0,0,0|1,0,2]=4 2186 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,1,0,0,0,0|1,0,0]=2 2187 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,1,0,0,0,0|1,0,0]=2 2188 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,1,0,0,0,0|1,0,0]=2 2189 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,1,0,0,0,0|2,0,0]=3 2190 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,1,0,0,0,0|2,0,0]=3 2191 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,1,0,0,0,0|2,0,0]=3 2192 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,1,0,0,0,0|2,0,0]=3 2193 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,1,0,0,0,0|2,0,0]=3 2194 B12R1.8 CCOCCNc1ccncc1 34a_200011243140_100000210202 [0,1,0,0,0,0|3,0,0]=4 2195 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,1,0,0,0,0|2,0,0]=3 2196 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,1,0,0,0,0|2,0,0]=3 2197 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,1,0,0,0,0|2,0,0]=3 2198 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,1,0,0,0,0|2,0,0]=3 2199 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,1,0,0,0,0|2,0,0]=3 2200 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,1,0,0,0,0|3,0,0]=4 2201 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,1,0,0,0,0|3,0,0]=4 2202 B12R1.8 CCOCCOc1ccncc1 34a_100000212176_100000210147 [0,1,0,0,0,0|3,0,0]=4 2203 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,1,0,0,0,0|2,0,0]=3 2204 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,1,0,0,0,0|2,0,0]=3 2205 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,1,0,0,0,0|2,0,0]=3 2206 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,1,0,0,0,0|2,0,0]=3 2207 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,1,0,0,0,0|3,0,0]=4 2208 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,1,0,0,0,0|3,0,0]=4 2209 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,1,0,0,0,0|3,0,0]=4 2210 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,1,0,0,0,0|3,0,0]=4 2211 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,1,0,0,0,0|3,0,0]=4 2212 B12R1.8 CCOCCSc1ccncc1 62a_100000210147_100000728582 [0,1,0,0,0,0|3,0,0]=4 2213 B12R1.8 CCOCCSc1ccncc1 62a_100000728582_100011215890 [0,1,0,0,0,0|3,0,0]=4 2214 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,1,0,0,0,0|2,0,0]=3 2215 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,1,0,0,0,0|2,0,0]=3 2216 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,1,0,0,0,0|2,0,0]=3 2217 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,1,0,0,0,0|2,0,0]=3 2218 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,1,0,0,0,0|3,0,0]=4 2219 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,1,0,0,0,0|3,0,0]=4 2220 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,1,0,0,0,0|3,0,0]=4 2221 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,1,0,0,0,0|3,0,0]=4 2222 B12R1.8 CCOCSCc1ccncc1 62a_100000739092_100015193705 [0,1,0,0,0,0|3,0,0]=4 2223 B12R1.8 CCOCSCc1ccncc1 62a_100015193705_100000739092 [0,1,0,0,0,0|3,0,0]=4 2224 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,1,0,0,0,0|1,0,2]=4 2225 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,1,0,0,0,0|1,0,2]=4 2226 B12R1.8 CCSCC#Cc1ccccc1 62a_100000210202_100011352542 [0,1,0,0,0,0|1,0,2]=4 2227 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,1,0,0,0,0|1,0,0]=2 2228 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,1,0,0,0,0|1,0,0]=2 2229 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,1,0,0,0,0|2,0,0]=3 2230 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,1,0,0,0,0|2,0,0]=3 2231 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,1,0,0,0,0|2,0,0]=3 2232 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,1,0,0,0,0|2,0,0]=3 2233 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,1,0,0,0,0|2,0,0]=3 2234 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,1,0,0,0,0|3,0,0]=4 2235 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,1,0,0,0,0|3,0,0]=4 2236 B12R1.8 CCSCCOc1ccncc1 34a_100000212176_100000757381 [0,1,0,0,0,0|3,0,0]=4 2237 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,1,0,0,0,0|2,0,0]=3 2238 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,1,0,0,0,0|2,0,0]=3 2239 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,1,0,0,0,0|2,0,0]=3 2240 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,1,0,0,0,0|2,0,0]=3 2241 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,1,0,0,0,0|3,0,0]=4 2242 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,1,0,0,0,0|3,0,0]=4 2243 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,1,0,0,0,0|3,0,0]=4 2244 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,1,0,0,0,0|3,0,0]=4 2245 B12R1.8 CCSCCSc1ccncc1 62a_100000728582_100000757381 [0,1,0,0,0,0|3,0,0]=4 2246 B12R1.8 CCSCCSc1ccncc1 62a_100000757381_100000728582 [0,1,0,0,0,0|3,0,0]=4 2247 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,1,0,0,0,0|2,0,0]=3 2248 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,1,0,0,0,0|2,0,0]=3 2249 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,1,0,0,0,0|2,0,0]=3 2250 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,1,0,0,0,0|2,0,0]=3 2251 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,1,0,0,0,0|0,0,0]=1 2252 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,1,0,0,0,0|0,0,0]=1 2253 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,1,0,0,0,0|0,0,0]=1 2254 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,1,0,0,0,0|0,0,0]=1 2255 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,1,0,0,0,0|0,0,0]=1 2256 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,1,0,0,0,0|1,0,0]=2 2257 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,1,0,0,0,0|1,0,0]=2 2258 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,1,0,0,0,0|1,0,0]=2 2259 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,1,0,0,0,0|1,0,0]=2 2260 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,1,0,0,0,0|1,0,0]=2 2261 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,1,0,0,0,0|1,0,0]=2 2262 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,1,0,0,0,0|1,0,0]=2 2263 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,1,0,0,0,0|1,0,0]=2 2264 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,1,0,0,0,0|1,0,0]=2 2265 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,1,0,0,0,0|1,0,0]=2 2266 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,1,0,0,0,0|1,0,0]=2 2267 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,1,0,0,0,0|1,0,0]=2 2268 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,1,0,0,0,0|1,0,0]=2 2269 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,1,0,0,0,0|1,0,0]=2 2270 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,1,0,0,0,0|1,0,0]=2 2271 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,1,0,0,0,0|1,0,0]=2 2272 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,1,0,0,0,0|1,0,0]=2 2273 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,1,0,0,0,0|1,0,0]=2 2274 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,1,0,0,0,0|1,0,0]=2 2275 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,1,0,0,0,0|1,0,0]=2 2276 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,1,0,0,0,0|1,0,0]=2 2277 B12R1.8 CNCCSSc1ccccn1 2230a_100016995281_200000210301 [0,1,0,0,0,0|3,0,0]=4 2278 B12R1.8 CNCCSSc1ccccn1 7a_100016995281_200000210301 [0,1,0,0,0,0|3,0,0]=4 2279 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [0,1,0,0,0,0|1,0,2]=4 2280 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [0,1,0,0,0,0|1,0,2]=4 2281 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,1,0,0,0,0|1,0,0]=2 2282 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,1,0,0,0,0|1,0,0]=2 2283 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,1,0,0,0,0|1,0,0]=2 2284 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,1,0,0,0,0|2,0,0]=3 2285 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2286 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2287 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,1,0,0,0,0|2,0,0]=3 2288 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,1,0,0,0,0|2,0,0]=3 2289 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 2290 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,1,0,0,0,0|2,0,0]=3 2291 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2292 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,1,0,0,0,0|2,0,0]=3 2293 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,1,0,0,0,0|2,0,0]=3 2294 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2295 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,1,0,0,0,0|3,0,0]=4 2296 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,1,0,0,0,0|3,0,0]=4 2297 B12R1.8 COCCCOc1ccncc1 34a_100000212176_100000740836 [0,1,0,0,0,0|3,0,0]=4 2298 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,1,0,0,0,0|2,0,0]=3 2299 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,1,0,0,0,0|2,0,0]=3 2300 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,1,0,0,0,0|2,0,0]=3 2301 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,1,0,0,0,0|3,0,0]=4 2302 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,1,0,0,0,0|3,0,0]=4 2303 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,1,0,0,0,0|3,0,0]=4 2304 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,1,0,0,0,0|3,0,0]=4 2305 B12R1.8 COCCCSc1ccncc1 62a_100000709357_100000728582 [0,1,0,0,0,0|3,0,0]=4 2306 B12R1.8 COCCCSc1ccncc1 62a_100000728582_100000709357 [0,1,0,0,0,0|3,0,0]=4 2307 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,1,0,0,0,0|2,0,0]=3 2308 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,1,0,0,0,0|2,0,0]=3 2309 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,1,0,0,0,0|2,0,0]=3 2310 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,1,0,0,0,0|2,0,0]=3 2311 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 2312 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,1,0,0,0,0|2,0,0]=3 2313 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,1,0,0,0,0|3,0,0]=4 2314 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,1,0,0,0,0|3,0,0]=4 2315 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,1,0,0,0,0|3,0,0]=4 2316 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,1,0,0,0,0|3,0,0]=4 2317 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,1,0,0,0,0|3,0,0]=4 2318 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,1,0,0,0,0|3,0,0]=4 2319 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,1,0,0,0,0|3,0,0]=4 2320 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,1,0,0,0,0|3,0,0]=4 2321 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,1,0,0,0,0|2,0,0]=3 2322 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,1,0,0,0,0|2,0,0]=3 2323 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2324 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,1,0,0,0,0|2,0,0]=3 2325 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,1,0,0,0,0|2,0,0]=3 2326 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2327 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,1,0,0,0,0|3,0,0]=4 2328 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,1,0,0,0,0|3,0,0]=4 2329 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,1,0,0,0,0|2,0,0]=3 2330 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,1,0,0,0,0|2,0,0]=3 2331 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,1,0,0,0,0|2,0,0]=3 2332 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,1,0,0,0,0|2,0,0]=3 2333 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,1,0,0,0,0|2,0,0]=3 2334 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,1,0,0,0,0|3,0,0]=4 2335 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,1,0,0,0,0|3,0,0]=4 2336 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,1,0,0,0,0|3,0,0]=4 2337 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,1,0,0,0,0|3,0,0]=4 2338 B12R1.8 COCCSCc1ccncc1 62a_100000233755_100015193705 [0,1,0,0,0,0|3,0,0]=4 2339 B12R1.8 COCCSCc1ccncc1 62a_100015193705_100000233755 [0,1,0,0,0,0|3,0,0]=4 2340 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,1,0,0,0,0|2,0,0]=3 2341 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,1,0,0,0,0|3,0,0]=4 2342 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,1,0,0,0,0|2,0,0]=3 2343 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,1,0,0,0,0|2,0,0]=3 2344 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,1,0,0,0,0|3,0,0]=4 2345 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,1,0,0,0,0|3,0,0]=4 2346 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,1,0,0,0,0|3,0,0]=4 2347 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,1,0,0,0,0|3,0,0]=4 2348 B12R1.8 COCSCCc1ccncc1 62a_100000723409_100000766300 [0,1,0,0,0,0|3,0,0]=4 2349 B12R1.8 COCSCCc1ccncc1 62a_100000766300_100000723409 [0,1,0,0,0,0|3,0,0]=4 2350 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,1,0,0,0,0|3,0,0]=4 2351 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,1,0,0,0,0|3,0,0]=4 2352 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,1,0,0,0,0|1,0,0]=2 2353 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,1,0,0,0,0|1,0,0]=2 2354 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,1,0,0,0,0|2,0,0]=3 2355 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,1,0,0,0,0|2,0,0]=3 2356 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,1,0,0,0,0|2,0,0]=3 2357 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,1,0,0,0,0|2,0,0]=3 2358 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,1,0,0,0,0|2,0,0]=3 2359 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,1,0,0,0,0|2,0,0]=3 2360 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,1,0,0,0,0|2,0,0]=3 2361 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,1,0,0,0,0|2,0,0]=3 2362 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,1,0,0,0,0|2,0,0]=3 2363 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,1,0,0,0,0|2,0,0]=3 2364 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,1,0,0,0,0|2,0,0]=3 2365 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,1,0,0,0,0|3,0,0]=4 2366 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,1,0,0,0,0|3,0,0]=4 2367 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,1,0,0,0,0|3,0,0]=4 2368 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,1,0,0,0,0|3,0,0]=4 2369 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,1,0,0,0,0|3,0,0]=4 2370 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,1,0,0,0,0|3,0,0]=4 2371 B12R1.8 CSCCNCc1ccncc1 207a_100020590264_100000186114 [0,1,0,0,0,0|3,0,0]=4 2372 B12R1.8 CSCCNCc1ccncc1 2230a_100020590264_100015193705 [0,1,0,0,0,0|3,0,0]=4 2373 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,1,0,0,0,0|2,0,0]=3 2374 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,1,0,0,0,0|2,0,0]=3 2375 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,1,0,0,0,0|2,0,0]=3 2376 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,1,0,0,0,0|2,0,0]=3 2377 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,1,0,0,0,0|2,0,0]=3 2378 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,1,0,0,0,0|2,0,0]=3 2379 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,1,0,0,0,0|3,0,0]=4 2380 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,1,0,0,0,0|3,0,0]=4 2381 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,1,0,0,0,0|3,0,0]=4 2382 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,1,0,0,0,0|3,0,0]=4 2383 B12R1.8 CSCCOCc1ccncc1 7a_100000230434_100015193705 [0,1,0,0,0,0|3,0,0]=4 2384 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,1,0,0,0,0|2,0,0]=3 2385 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,1,0,0,0,0|2,0,0]=3 2386 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,1,0,0,0,0|2,0,0]=3 2387 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,1,0,0,0,0|2,0,0]=3 2388 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,1,0,0,0,0|3,0,0]=4 2389 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,1,0,0,0,0|3,0,0]=4 2390 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,1,0,0,0,0|3,0,0]=4 2391 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,1,0,0,0,0|3,0,0]=4 2392 B12R1.8 CSCCSCc1ccncc1 62a_100000212216_100015193705 [0,1,0,0,0,0|3,0,0]=4 2393 B12R1.8 CSCCSCc1ccncc1 62a_100015193705_100000751147 [0,1,0,0,0,0|3,0,0]=4 2394 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,1,0,0,0,0|2,0,0]=3 2395 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,1,0,0,0,0|2,0,0]=3 2396 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,1,0,0,0,0|3,0,0]=4 2397 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,1,0,0,0,0|2,0,0]=3 2398 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,1,0,0,0,0|3,0,0]=4 2399 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,1,0,0,0,0|3,0,0]=4 2400 B12R1.8 CSCOCCc1ccncc1 34a_100011216225_100011218213 [0,1,0,0,0,0|3,0,0]=4 2401 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,1,0,0,0,0|2,0,0]=3 2402 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,1,0,0,0,0|2,0,0]=3 2403 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,1,0,0,0,0|3,0,0]=4 2404 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,1,0,0,0,0|3,0,0]=4 2405 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,1,0,0,0,0|3,0,0]=4 2406 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,1,0,0,0,0|3,0,0]=4 2407 B12R1.8 CSCSCCc1ccncc1 62a_100000723409_100011218213 [0,1,0,0,0,0|3,0,0]=4 2408 B12R1.8 CSCSCCc1ccncc1 62a_100011218213_100000723409 [0,1,0,0,0,0|3,0,0]=4 2409 B12R1.8 CSCSCSc1ccccc1 62a_100011218213_100011218342 [0,1,0,0,0,0|3,0,0]=4 2410 B12R1.8 CSCSCSc1ccccc1 62a_100011218342_100011218213 [0,1,0,0,0,0|3,0,0]=4 2411 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,1,0,0,0,0|1,0,0]=2 2412 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,1,0,0,0,0|2,0,0]=3 2413 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,1,0,0,0,0|2,0,0]=3 2414 B12R1.8 ClCCCOCc1cccnn1 34a_100000230001_100016990269 [0,1,0,0,0,0|3,0,0]=4 2415 B12R1.8 ClCCCOCc1cnccn1 34a_100000230001_100016995436 [0,1,0,0,0,0|3,0,0]=4 2416 B12R1.8 ClCCCOCc1cncnc1 34a_100000230001_100015196519 [0,1,0,0,0,0|3,0,0]=4 2417 B12R1.8 ClCCCOCc1ncccn1 34a_100000230001_100000703007 [0,1,0,0,0,0|3,0,0]=4 2418 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,1,0,0,0,0|1,0,0]=2 2419 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,1,0,0,0,0|1,0,0]=2 2420 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,1,0,0,0,0|1,0,0]=2 2421 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,1,0,0,0,0|2,0,0]=3 2422 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,1,0,0,0,0|2,0,0]=3 2423 B12R1.8 FCCCCOc1ccncc1 34a_100000212176_100000729493 [0,1,0,0,0,0|2,0,0]=3 2424 B12R1.8 FCCCCOc1ccnnc1 34a_100015204005_100000729493 [0,1,0,0,0,0|3,0,0]=4 2425 B12R1.8 FCCCCOc1cncnc1 7a_100000754086_100000729493 [0,1,0,0,0,0|3,0,0]=4 2426 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,1,0,0,0,0|1,0,0]=2 2427 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,1,0,0,0,0|1,0,0]=2 2428 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,1,0,0,0,0|2,0,0]=3 2429 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,1,0,0,0,0|2,0,0]=3 2430 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,1,0,0,0,0|2,0,0]=3 2431 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,1,0,0,0,0|2,0,0]=3 2432 B12R1.8 FCCCCSc1cccnn1 62a_100000729493_100016991348 [0,1,0,0,0,0|3,0,0]=4 2433 B12R1.8 FCCCCSc1cccnn1 62a_100016991348_100000729493 [0,1,0,0,0,0|3,0,0]=4 2434 B12R1.8 FCCCCSc1ccncc1 62a_100000728582_100000729493 [0,1,0,0,0,0|2,0,0]=3 2435 B12R1.8 FCCCCSc1ccncc1 62a_100000729493_100000728582 [0,1,0,0,0,0|2,0,0]=3 2436 B12R1.8 FCCCCSc1ccncn1 62a_100000703185_100000729493 [0,1,0,0,0,0|3,0,0]=4 2437 B12R1.8 FCCCCSc1ccncn1 62a_100000729493_100000703185 [0,1,0,0,0,0|3,0,0]=4 2438 B12R1.8 FCCCCSc1ccnnc1 62a_100000729493_100000732662 [0,1,0,0,0,0|3,0,0]=4 2439 B12R1.8 FCCCCSc1ccnnc1 62a_100000732662_100000729493 [0,1,0,0,0,0|3,0,0]=4 2440 B12R1.8 FCCCCSc1cnccn1 62a_100000211759_100000729493 [0,1,0,0,0,0|3,0,0]=4 2441 B12R1.8 FCCCCSc1cnccn1 62a_100000729493_100000211759 [0,1,0,0,0,0|3,0,0]=4 2442 B12R1.8 FCCCCSc1cncnc1 62a_100000729493_100011206942 [0,1,0,0,0,0|3,0,0]=4 2443 B12R1.8 FCCCCSc1cncnc1 62a_100011206942_100000729493 [0,1,0,0,0,0|3,0,0]=4 2444 B12R1.8 FCCCCSc1ncccn1 62a_100000211032_100000729493 [0,1,0,0,0,0|3,0,0]=4 2445 B12R1.8 FCCCCSc1ncccn1 62a_100000729493_100000211032 [0,1,0,0,0,0|3,0,0]=4 2446 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,1,0,0,0,0|1,0,0]=2 2447 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,1,0,0,0,0|1,0,0]=2 2448 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,1,0,0,0,0|1,0,0]=2 2449 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,1,0,0,0,0|1,0,0]=2 2450 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,1,0,0,0,0|1,0,0]=2 2451 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,1,0,0,0,0|1,0,0]=2 2452 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,1,0,0,0,0|2,0,0]=3 2453 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,1,0,0,0,0|2,0,0]=3 2454 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,1,0,0,0,0|2,0,0]=3 2455 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,1,0,0,0,0|2,0,0]=3 2456 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,1,0,0,0,0|2,0,0]=3 2457 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,1,0,0,0,0|2,0,0]=3 2458 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,1,0,0,0,0|2,0,0]=3 2459 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,1,0,0,0,0|2,0,0]=3 2460 B12R1.8 FCCCNCc1cccnn1 2230a_100015189416_100016990269 [0,1,0,0,0,0|3,0,0]=4 2461 B12R1.8 FCCCNCc1cccnn1 2230a_100159270163_100011934791 [0,1,0,0,0,0|3,0,0]=4 2462 B12R1.8 FCCCNCc1cccnn1 34a_100015189416_100016990269 [0,1,0,0,0,0|3,0,0]=4 2463 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [0,1,0,0,0,0|2,0,0]=3 2464 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [0,1,0,0,0,0|2,0,0]=3 2465 B12R1.8 FCCCNCc1ccnnc1 270004a_100015189416_100011934578 [0,1,0,0,0,0|3,0,0]=4 2466 B12R1.8 FCCCNCc1cnccn1 2230a_100015189416_100016995436 [0,1,0,0,0,0|3,0,0]=4 2467 B12R1.8 FCCCNCc1cnccn1 270004a_100015189416_100000749867 [0,1,0,0,0,0|3,0,0]=4 2468 B12R1.8 FCCCNCc1cnccn1 34a_100015189416_100016995436 [0,1,0,0,0,0|3,0,0]=4 2469 B12R1.8 FCCCNCc1cncnc1 2230a_100011243677_100011934791 [0,1,0,0,0,0|3,0,0]=4 2470 B12R1.8 FCCCNCc1cncnc1 2230a_100015189416_100015196519 [0,1,0,0,0,0|3,0,0]=4 2471 B12R1.8 FCCCNCc1cncnc1 270004a_100015189416_100000749868 [0,1,0,0,0,0|3,0,0]=4 2472 B12R1.8 FCCCNCc1cncnc1 34a_100015189416_100015196519 [0,1,0,0,0,0|3,0,0]=4 2473 B12R1.8 FCCCNCc1ncccn1 2230a_100015189416_100000703007 [0,1,0,0,0,0|3,0,0]=4 2474 B12R1.8 FCCCNCc1ncccn1 270004a_100015189416_100011532527 [0,1,0,0,0,0|3,0,0]=4 2475 B12R1.8 FCCCNCc1ncccn1 34a_100015189416_100000703007 [0,1,0,0,0,0|3,0,0]=4 2476 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,1,0,0,0,0|1,0,0]=2 2477 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,1,0,0,0,0|1,0,0]=2 2478 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,1,0,0,0,0|1,0,0]=2 2479 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,1,0,0,0,0|2,0,0]=3 2480 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,1,0,0,0,0|2,0,0]=3 2481 B12R1.8 FCCCOCc1cccnn1 34a_100000759539_100016990269 [0,1,0,0,0,0|3,0,0]=4 2482 B12R1.8 FCCCOCc1cnccn1 34a_100000759539_100016995436 [0,1,0,0,0,0|3,0,0]=4 2483 B12R1.8 FCCCOCc1cncnc1 34a_100000759539_100015196519 [0,1,0,0,0,0|3,0,0]=4 2484 B12R1.8 FCCCOCc1ncccn1 34a_100000759539_100000703007 [0,1,0,0,0,0|3,0,0]=4 2485 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,1,0,0,0,0|1,0,0]=2 2486 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,1,0,0,0,0|1,0,0]=2 2487 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,1,0,0,0,0|2,0,0]=3 2488 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,1,0,0,0,0|2,0,0]=3 2489 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,1,0,0,0,0|2,0,0]=3 2490 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,1,0,0,0,0|2,0,0]=3 2491 B12R1.8 FCCCSCc1cccnn1 62a_100011934791_100016990269 [0,1,0,0,0,0|3,0,0]=4 2492 B12R1.8 FCCCSCc1cccnn1 62a_100016990269_100011934791 [0,1,0,0,0,0|3,0,0]=4 2493 B12R1.8 FCCCSCc1ccncc1 62a_100011934791_100015193705 [0,1,0,0,0,0|2,0,0]=3 2494 B12R1.8 FCCCSCc1ccncc1 62a_100015193705_100011934791 [0,1,0,0,0,0|2,0,0]=3 2495 B12R1.8 FCCCSCc1cnccn1 62a_100011934791_100016995436 [0,1,0,0,0,0|3,0,0]=4 2496 B12R1.8 FCCCSCc1cnccn1 62a_100016995436_100011934791 [0,1,0,0,0,0|3,0,0]=4 2497 B12R1.8 FCCCSCc1cncnc1 62a_100011934791_100015196519 [0,1,0,0,0,0|3,0,0]=4 2498 B12R1.8 FCCCSCc1cncnc1 62a_100015196519_100011934791 [0,1,0,0,0,0|3,0,0]=4 2499 B12R1.8 FCCCSCc1ncccn1 62a_100000703007_100011934791 [0,1,0,0,0,0|3,0,0]=4 2500 B12R1.8 FCCCSCc1ncccn1 62a_100011934791_100000703007 [0,1,0,0,0,0|3,0,0]=4 2501 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,1,0,0,0,0|1,0,0]=2 2502 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,1,0,0,0,0|1,0,0]=2 2503 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,1,0,0,0,0|1,0,0]=2 2504 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,1,0,0,0,0|2,0,0]=3 2505 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,1,0,0,0,0|1,0,0]=2 2506 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,1,0,0,0,0|1,0,0]=2 2507 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,1,0,0,0,0|2,0,0]=3 2508 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,1,0,0,0,0|2,0,0]=3 2509 B12R1.8 FCCOCCc1ccncc1 34a_100011216225_100011217306 [0,1,0,0,0,0|2,0,0]=3 2510 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,1,0,0,0,0|3,0,0]=4 2511 B12R1.8 FCCOCCc1cncnc1 34a_100011709255_100011217306 [0,1,0,0,0,0|3,0,0]=4 2512 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,1,0,0,0,0|1,0,0]=2 2513 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,1,0,0,0,0|1,0,0]=2 2514 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,1,0,0,0,0|2,0,0]=3 2515 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,1,0,0,0,0|2,0,0]=3 2516 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,1,0,0,0,0|2,0,0]=3 2517 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,1,0,0,0,0|2,0,0]=3 2518 B12R1.8 FCCSCCc1ccncc1 62a_100000723409_100011217306 [0,1,0,0,0,0|2,0,0]=3 2519 B12R1.8 FCCSCCc1ccncc1 62a_100011217306_100000723409 [0,1,0,0,0,0|2,0,0]=3 2520 B12R1.8 FCCSCSc1ccccc1 62a_100011217306_100011218342 [0,1,0,0,0,0|2,0,0]=3 2521 B12R1.8 FCCSCSc1ccccc1 62a_100011218342_100011217306 [0,1,0,0,0,0|2,0,0]=3 2522 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,1,0,0,0,0|1,0,2]=4 2523 B12R1.8 FCNCC#Cc1ccccc1 34a_100000735379_100015361967 [0,1,0,0,0,0|1,0,2]=4 2524 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,1,0,0,0,0|1,0,0]=2 2525 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,1,0,0,0,0|2,0,0]=3 2526 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,1,0,0,0,0|2,0,0]=3 2527 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,1,0,0,0,0|1,0,2]=4 2528 B12R1.8 FCOCC#Cc1ccccc1 34a_100011217464_100015361967 [0,1,0,0,0,0|1,0,2]=4 2529 B12R1.8 FCOCC#Cc1ccccc1 7a_100011217464_100015361967 [0,1,0,0,0,0|1,0,2]=4 2530 B12R1.8 FCOCCCC1=CCC=CC1 34a_100020667889_100015361967 [0,1,0,0,0,0|1,0,2]=4 2531 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,1,0,0,0,0|1,0,0]=2 2532 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,1,0,0,0,0|1,0,0]=2 2533 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,1,0,0,0,0|2,0,0]=3 2534 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,1,0,0,0,0|2,0,0]=3 2535 B12R1.8 FCOCCCc1ccncc1 34a_100000210659_100015361967 [0,1,0,0,0,0|2,0,0]=3 2536 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,1,0,0,0,0|2,0,0]=3 2537 B12R1.8 FCOCCNc1ccncc1 34a_200011243140_100015361967 [0,1,0,0,0,0|3,0,0]=4 2538 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,1,0,0,0,0|2,0,0]=3 2539 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,1,0,0,0,0|2,0,0]=3 2540 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,1,0,0,0,0|2,0,0]=3 2541 B12R1.8 FCOCCSc1ccccn1 7a_100000156319_100015361967 [0,1,0,0,0,0|3,0,0]=4 2542 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [0,1,0,0,0,0|1,0,2]=4 2543 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [0,1,0,0,0,0|1,0,2]=4 2544 B12R1.8 FCSCC#Cc1ccccc1 62a_100015361967_100011352542 [0,1,0,0,0,0|1,0,2]=4 2545 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,1,0,0,0,0|1,0,0]=2 2546 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,1,0,0,0,0|1,0,0]=2 2547 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,1,0,0,0,0|2,0,0]=3 2548 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,1,0,0,0,0|2,0,0]=3 2549 B12R1.8 FCSCCSc1ccccc1 62a_100000246102_100015361967 [0,1,0,0,0,0|2,0,0]=3 2550 B12R1.8 FCSCCSc1ccccc1 62a_100015361967_100000246102 [0,1,0,0,0,0|2,0,0]=3 2551 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,1,0,0,0,0|2,0,0]=3 2552 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,1,0,0,0,0|2,0,0]=3 2553 B12R1.8 FCSCSCc1ccccc1 62a_100015361967_200011217039 [0,1,0,0,0,0|2,0,0]=3 2554 B12R1.8 FCSCSCc1ccccc1 62a_200011217039_100015361967 [0,1,0,0,0,0|2,0,0]=3 2555 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,1,0,0,0,0|0,0,2]=3 2556 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [0,1,0,0,0,0|1,0,2]=4 2557 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [0,1,0,0,0,0|0,0,2]=3 2558 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [0,1,0,0,0,0|0,0,2]=3 2559 B12R1.8 N#CCCCSc1ccccn1 62a_100000687738_100011216584 [0,1,0,0,0,0|1,0,2]=4 2560 B12R1.8 N#CCCCSc1ccccn1 62a_100011216584_100000687738 [0,1,0,0,0,0|1,0,2]=4 2561 B12R1.8 N#CCCCSc1cccnc1 62a_100000210063_100000687738 [0,1,0,0,0,0|1,0,2]=4 2562 B12R1.8 N#CCCCSc1cccnc1 62a_100000687738_100000210063 [0,1,0,0,0,0|1,0,2]=4 2563 B12R1.8 N#CCCCSc1ccncc1 62a_100000687738_100000728582 [0,1,0,0,0,0|1,0,2]=4 2564 B12R1.8 N#CCCCSc1ccncc1 62a_100000728582_100000687738 [0,1,0,0,0,0|1,0,2]=4 2565 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,1,0,0,0,0|0,0,2]=3 2566 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,1,0,0,0,0|0,0,2]=3 2567 B12R1.8 N#CCCNCc1ccccn1 270004a_100000720768_100000209966 [0,1,0,0,0,0|1,0,2]=4 2568 B12R1.8 N#CCCNCc1cccnc1 270004a_100000720768_100000209961 [0,1,0,0,0,0|1,0,2]=4 2569 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,1,0,0,0,0|0,0,2]=3 2570 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [0,1,0,0,0,0|0,0,2]=3 2571 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [0,1,0,0,0,0|0,0,2]=3 2572 B12R1.8 N#CCCSCc1ccccn1 62a_100000721315_100011215226 [0,1,0,0,0,0|1,0,2]=4 2573 B12R1.8 N#CCCSCc1ccccn1 62a_100011215226_100000721315 [0,1,0,0,0,0|1,0,2]=4 2574 B12R1.8 N#CCCSCc1cccnc1 62a_100000741622_100011215226 [0,1,0,0,0,0|1,0,2]=4 2575 B12R1.8 N#CCCSCc1cccnc1 62a_100011215226_100000741622 [0,1,0,0,0,0|1,0,2]=4 2576 B12R1.8 N#CCCSCc1ccncc1 62a_100011215226_100015193705 [0,1,0,0,0,0|1,0,2]=4 2577 B12R1.8 N#CCCSCc1ccncc1 62a_100015193705_100011215226 [0,1,0,0,0,0|1,0,2]=4 2578 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,1,0,0,0,0|0,0,2]=3 2579 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,1,0,0,0,0|1,0,2]=4 2580 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,1,0,0,0,0|0,0,2]=3 2581 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [0,1,0,0,0,0|0,0,2]=3 2582 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [0,1,0,0,0,0|0,0,2]=3 2583 B12R1.8 N#CCSCCc1ccccn1 62a_100011215382_100015183660 [0,1,0,0,0,0|1,0,2]=4 2584 B12R1.8 N#CCSCCc1ccccn1 62a_100015183660_100011215382 [0,1,0,0,0,0|1,0,2]=4 2585 B12R1.8 N#CCSCCc1cccnc1 62a_100011215382_200011713674 [0,1,0,0,0,0|1,0,2]=4 2586 B12R1.8 N#CCSCCc1cccnc1 62a_200011713674_100011215382 [0,1,0,0,0,0|1,0,2]=4 2587 B12R1.8 N#CCSCCc1ccncc1 62a_100000723409_100011215382 [0,1,0,0,0,0|1,0,2]=4 2588 B12R1.8 N#CCSCCc1ccncc1 62a_100011215382_100000723409 [0,1,0,0,0,0|1,0,2]=4 2589 B12R1.8 N#CCSCSc1ccccc1 62a_100011215382_100011218342 [0,1,0,0,0,0|1,0,2]=4 2590 B12R1.8 N#CCSCSc1ccccc1 62a_100011218342_100011215382 [0,1,0,0,0,0|1,0,2]=4 2591 B12R1.8 N#CSCCSc1ccccc1 62a_100000034367_100000041952 [0,1,0,0,0,0|1,0,2]=4 2592 B12R1.8 N#CSCCSc1ccccc1 62a_100000719477_100000034367 [0,1,0,0,0,0|1,0,2]=4 2593 B12R1.8 N#CSCSCc1ccccc1 62a_100000211182_100000211825 [0,1,0,0,0,0|1,0,2]=4 2594 B12R1.8 N#CSCSCc1ccccc1 62a_100000211825_100015291786 [0,1,0,0,0,0|1,0,2]=4 2595 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,1,0,0,0,0|0,0,0]=1 2596 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,1,0,0,0,0|1,0,0]=2 2597 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,1,0,0,0,0|1,0,0]=2 2598 B12R1.8 NCCCOCc1cccnn1 34a_100000182051_100016990269 [0,1,0,0,0,0|2,0,0]=3 2599 B12R1.8 NCCCOCc1cnccn1 34a_100000182051_100016995436 [0,1,0,0,0,0|2,0,0]=3 2600 B12R1.8 NCCCOCc1cncnc1 34a_100000182051_100015196519 [0,1,0,0,0,0|2,0,0]=3 2601 B12R1.8 NCCCOCc1ncccn1 34a_100000182051_100000703007 [0,1,0,0,0,0|2,0,0]=3 2602 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,1,0,0,0,0|0,0,0]=1 2603 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,1,0,0,0,0|1,0,0]=2 2604 B12R1.8 NOCCOCc1ccccn1 34a_100000700252_100000721315 [0,1,0,0,0,0|2,0,0]=3 2605 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,1,0,0,0,0|2,0,0]=3 2606 B12R1.8 NOCCOCc1cccnn1 34a_100000700252_100016990269 [0,1,0,0,0,0|3,0,0]=4 2607 B12R1.8 NOCCOCc1cnccn1 34a_100000700252_100016995436 [0,1,0,0,0,0|3,0,0]=4 2608 B12R1.8 NOCCOCc1cncnc1 34a_100000700252_100015196519 [0,1,0,0,0,0|3,0,0]=4 2609 B12R1.8 NOCCOCc1ncccn1 34a_100000700252_100000703007 [0,1,0,0,0,0|3,0,0]=4 2610 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,1,0,0,0,0|1,0,1]=3 2611 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,1,0,0,0,0|2,0,1]=4 2612 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,1,0,0,0,0|1,0,1]=3 2613 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,1,0,0,0,0|1,0,1]=3 2614 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [0,1,0,0,0,0|2,0,1]=4 2615 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [0,1,0,0,0,0|2,0,1]=4 2616 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,1,0,0,0,0|2,0,1]=4 2617 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,1,0,0,0,0|2,0,1]=4 2618 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [0,1,0,0,0,0|2,0,1]=4 2619 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [0,1,0,0,0,0|2,0,1]=4 2620 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,1,0,0,0,0|1,0,1]=3 2621 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,1,0,0,0,0|1,0,1]=3 2622 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,1,0,0,0,0|2,0,1]=4 2623 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,1,0,0,0,0|1,0,1]=3 2624 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,1,0,0,0,0|1,0,1]=3 2625 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,1,0,0,0,0|2,0,1]=4 2626 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,1,0,0,0,0|2,0,1]=4 2627 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [0,1,0,0,0,0|2,0,1]=4 2628 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,1,0,0,0,0|1,0,1]=3 2629 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,1,0,0,0,0|1,0,1]=3 2630 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [0,1,0,0,0,0|2,0,1]=4 2631 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [0,1,0,0,0,0|2,0,1]=4 2632 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [0,1,0,0,0,0|2,0,1]=4 2633 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [0,1,0,0,0,0|2,0,1]=4 2634 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [0,1,0,0,0,0|2,0,1]=4 2635 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [0,1,0,0,0,0|2,0,1]=4 2636 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,1,0,0,0,0|2,0,1]=4 2637 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,1,0,0,0,0|2,0,1]=4 2638 B12R1.8 OCC#CCNc1ccccc1 34a_100000106764_200000047223 [0,1,0,0,0,0|1,0,2]=4 2639 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [0,1,0,0,0,0|1,0,2]=4 2640 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [0,1,0,0,0,0|1,0,2]=4 2641 B12R1.8 OCC#CCSc1ccccc1 62a_100000719477_200000047223 [0,1,0,0,0,0|1,0,2]=4 2642 B12R1.8 OCC#CCSc1ccccc1 62a_200000047223_100000041952 [0,1,0,0,0,0|1,0,2]=4 2643 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,1,0,0,0,0|1,0,0]=2 2644 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,1,0,0,0,0|3,0,0]=4 2645 B12R1.8 OCCCCNc1ccncn1 27a_100000750430_100000703185 [0,1,0,0,0,0|3,0,0]=4 2646 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,1,0,0,0,0|3,0,0]=4 2647 B12R1.8 OCCCCNc1ncccn1 27a_100000750430_100000211032 [0,1,0,0,0,0|3,0,0]=4 2648 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,1,0,0,0,0|1,0,0]=2 2649 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,1,0,0,0,0|1,0,0]=2 2650 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,1,0,0,0,0|2,0,0]=3 2651 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,1,0,0,0,0|2,0,0]=3 2652 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [0,1,0,0,0,0|2,0,0]=3 2653 B12R1.8 OCCCCOc1ccnnc1 34a_100015204005_100011216708 [0,1,0,0,0,0|3,0,0]=4 2654 B12R1.8 OCCCCOc1cncnc1 7a_100000754086_100000210776 [0,1,0,0,0,0|3,0,0]=4 2655 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,1,0,0,0,0|1,0,0]=2 2656 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,1,0,0,0,0|1,0,0]=2 2657 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,1,0,0,0,0|2,0,0]=3 2658 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,1,0,0,0,0|2,0,0]=3 2659 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,1,0,0,0,0|2,0,0]=3 2660 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,1,0,0,0,0|2,0,0]=3 2661 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,1,0,0,0,0|3,0,0]=4 2662 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,1,0,0,0,0|3,0,0]=4 2663 B12R1.8 OCCCCSc1ccncc1 62a_100000210776_100000728582 [0,1,0,0,0,0|2,0,0]=3 2664 B12R1.8 OCCCCSc1ccncc1 62a_100000728582_100000210776 [0,1,0,0,0,0|2,0,0]=3 2665 B12R1.8 OCCCCSc1ccncn1 62a_100000210776_100000703185 [0,1,0,0,0,0|3,0,0]=4 2666 B12R1.8 OCCCCSc1ccncn1 62a_100000703185_100000210776 [0,1,0,0,0,0|3,0,0]=4 2667 B12R1.8 OCCCCSc1ccnnc1 62a_100000210776_100000732662 [0,1,0,0,0,0|3,0,0]=4 2668 B12R1.8 OCCCCSc1ccnnc1 62a_100000732662_100000210776 [0,1,0,0,0,0|3,0,0]=4 2669 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,1,0,0,0,0|3,0,0]=4 2670 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,1,0,0,0,0|3,0,0]=4 2671 B12R1.8 OCCCCSc1cncnc1 62a_100000210776_100011206942 [0,1,0,0,0,0|3,0,0]=4 2672 B12R1.8 OCCCCSc1cncnc1 62a_100011206942_100000210776 [0,1,0,0,0,0|3,0,0]=4 2673 B12R1.8 OCCCCSc1ncccn1 62a_100000210776_100000211032 [0,1,0,0,0,0|3,0,0]=4 2674 B12R1.8 OCCCCSc1ncccn1 62a_100000211032_100000210776 [0,1,0,0,0,0|3,0,0]=4 2675 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,1,0,0,0,0|1,0,0]=2 2676 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,1,0,0,0,0|1,0,0]=2 2677 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,1,0,0,0,0|1,0,0]=2 2678 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,1,0,0,0,0|1,0,0]=2 2679 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,1,0,0,0,0|2,0,0]=3 2680 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,1,0,0,0,0|2,0,0]=3 2681 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,1,0,0,0,0|2,0,0]=3 2682 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,1,0,0,0,0|2,0,0]=3 2683 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,1,0,0,0,0|3,0,0]=4 2684 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,1,0,0,0,0|2,0,0]=3 2685 B12R1.8 OCCCNCc1ccnnc1 270004a_100000182051_100011934578 [0,1,0,0,0,0|3,0,0]=4 2686 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,1,0,0,0,0|3,0,0]=4 2687 B12R1.8 OCCCNCc1cncnc1 2230a_100011243677_100000230001 [0,1,0,0,0,0|3,0,0]=4 2688 B12R1.8 OCCCNCc1cncnc1 270004a_100000182051_100000749868 [0,1,0,0,0,0|3,0,0]=4 2689 B12R1.8 OCCCNCc1ncccn1 270004a_100000182051_100011532527 [0,1,0,0,0,0|3,0,0]=4 2690 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,1,0,0,0,0|1,0,0]=2 2691 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,1,0,0,0,0|1,0,0]=2 2692 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,1,0,0,0,0|1,0,0]=2 2693 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,1,0,0,0,0|1,0,0]=2 2694 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,1,0,0,0,0|2,0,0]=3 2695 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,1,0,0,0,0|2,0,0]=3 2696 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,1,0,0,0,0|2,0,0]=3 2697 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,1,0,0,0,0|2,0,0]=3 2698 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,1,0,0,0,0|3,0,0]=4 2699 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,1,0,0,0,0|3,0,0]=4 2700 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [0,1,0,0,0,0|2,0,0]=3 2701 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [0,1,0,0,0,0|2,0,0]=3 2702 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,1,0,0,0,0|3,0,0]=4 2703 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,1,0,0,0,0|3,0,0]=4 2704 B12R1.8 OCCCSCc1cncnc1 62a_100011215043_100015196519 [0,1,0,0,0,0|3,0,0]=4 2705 B12R1.8 OCCCSCc1cncnc1 62a_100015196519_100011215043 [0,1,0,0,0,0|3,0,0]=4 2706 B12R1.8 OCCCSCc1ncccn1 62a_100000703007_100011215043 [0,1,0,0,0,0|3,0,0]=4 2707 B12R1.8 OCCCSCc1ncccn1 62a_100011215043_100000703007 [0,1,0,0,0,0|3,0,0]=4 2708 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,1,0,0,0,0|1,0,0]=2 2709 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,1,0,0,0,0|1,0,0]=2 2710 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,1,0,0,0,0|1,0,0]=2 2711 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,1,0,0,0,0|1,0,0]=2 2712 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,1,0,0,0,0|2,0,0]=3 2713 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,1,0,0,0,0|2,0,0]=3 2714 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,1,0,0,0,0|2,0,0]=3 2715 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,1,0,0,0,0|2,0,0]=3 2716 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,1,0,0,0,0|2,0,0]=3 2717 B12R1.8 OCCNN=Cc1ccccc1 4a_100000210001_100015611070 [0,1,0,0,0,0|2,0,1]=4 2718 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,1,0,0,0,0|1,0,0]=2 2719 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,1,0,0,0,0|1,0,0]=2 2720 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,1,0,0,0,0|2,0,0]=3 2721 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,1,0,0,0,0|2,0,0]=3 2722 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [0,1,0,0,0,0|2,0,0]=3 2723 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,1,0,0,0,0|3,0,0]=4 2724 B12R1.8 OCCOCCc1cncnc1 34a_100011709255_100000211926 [0,1,0,0,0,0|3,0,0]=4 2725 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,1,0,0,0,0|1,0,0]=2 2726 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,1,0,0,0,0|1,0,0]=2 2727 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,1,0,0,0,0|2,0,0]=3 2728 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,1,0,0,0,0|2,0,0]=3 2729 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,1,0,0,0,0|2,0,0]=3 2730 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,1,0,0,0,0|2,0,0]=3 2731 B12R1.8 OCCSCCc1ccncc1 62a_100000211926_100000723409 [0,1,0,0,0,0|2,0,0]=3 2732 B12R1.8 OCCSCCc1ccncc1 62a_100000723409_100000211926 [0,1,0,0,0,0|2,0,0]=3 2733 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [0,1,0,0,0,0|2,0,0]=3 2734 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [0,1,0,0,0,0|2,0,0]=3 2735 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,1,0,0,0,0|0,0,0]=1 2736 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,1,0,0,0,0|0,0,0]=1 2737 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,1,0,0,0,0|1,0,0]=2 2738 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,1,0,0,0,0|1,0,0]=2 2739 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,1,0,0,0,0|1,0,0]=2 2740 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,1,0,0,0,0|1,0,0]=2 2741 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,1,0,0,0,0|1,0,0]=2 2742 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,1,0,0,0,0|1,0,0]=2 2743 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,1,0,0,0,0|1,0,0]=2 2744 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,1,0,0,0,0|1,0,0]=2 2745 B12R1.8 [13CH3]NCCSSc1ccccn1 2230a_100016995281_200025704644 [0,1,0,0,0,0|3,0,0]=4 2746 B12R1.8 [13CH3]NCCSSc1ccccn1 7a_100016995281_200025704644 [0,1,0,0,0,0|3,0,0]=4 2747 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [0,1,0,0,0,0|1,0,2]=4 2748 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [0,1,0,0,0,0|1,0,2]=4 2749 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,1,0,0,0,0|1,0,0]=2 2750 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,1,0,0,0,0|1,0,0]=2 2751 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,1,0,0,0,0|2,0,0]=3 2752 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,1,0,0,0,0|2,0,0]=3 2753 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,1,0,0,0,0|2,0,0]=3 2754 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,1,0,0,0,0|2,0,0]=3 2755 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 2756 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,1,0,0,0,0|2,0,0]=3 2757 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,1,0,0,0,0|2,0,0]=3 2758 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 2759 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,1,0,0,0,0|2,0,0]=3 2760 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,1,0,0,0,0|2,0,0]=3 2761 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,1,0,0,0,0|2,0,0]=3 2762 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,1,0,0,0,0|2,0,0]=3 2763 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,1,0,0,0,0|1,0,0]=2 2764 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,1,0,0,0,0|1,0,0]=2 2765 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,1,0,0,0,0|2,0,0]=3 2766 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,1,0,0,0,0|2,0,0]=3 2767 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,1,0,0,0,0|2,0,0]=3 2768 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,1,0,0,0,0|2,0,0]=3 2769 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,1,0,0,0,0|2,0,0]=3 2770 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,1,0,0,0,0|2,0,0]=3 2771 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,1,0,0,0,0|2,0,0]=3 2772 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,1,0,0,0,0|2,0,0]=3 2773 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,1,0,0,0,0|2,0,0]=3 2774 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,1,0,0,0,0|2,0,0]=3 2775 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,0|1,0,2]=4 2776 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,1,0,0,0,0|2,0,1]=4 2777 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,1,0,0,0,0|2,0,1]=4 2778 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,1,0,0,0,0|2,0,1]=4 2779 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,1,0,0,0,0|2,0,1]=4 2780 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,1,0,0,0,0|2,0,1]=4 2781 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,1,0,0,0,0|2,0,1]=4 2782 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,1,0,0,0,0|2,0,1]=4 2783 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,1,0,0,0,0|2,0,1]=4 2784 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,0|1,0,2]=4 2785 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,1,0,0,0,0|2,0,1]=4 2786 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,1,0,0,0,0|2,0,1]=4 2787 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,1,0,0,0,0|2,0,1]=4 2788 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,1,0,0,0,0|2,0,1]=4 2789 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,1,0,0,0,0|2,0,1]=4 2790 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,1,0,0,0,0|2,0,1]=4 2791 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,1,0,0,0,0|2,0,1]=4 2792 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,1,0,0,0,0|1,0,2]=4 2793 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,1,0,0,0,0|1,0,2]=4 2794 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,1,0,0,0,0|1,0,2]=4 2795 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,1,0,0,0,0|1,0,2]=4 2796 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,1,0,0,0,0|1,0,2]=4 2797 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,1,0,0,0,0|1,0,2]=4 2798 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,1,0,0,0,0|2,0,0]=3 2799 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,1,0,0,0,0|2,0,0]=3 2800 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,1,0,0,0,0|2,0,0]=3 2801 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,1,0,0,0,0|2,0,0]=3 2802 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,1,0,0,0,0|3,0,0]=4 2803 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,1,0,0,0,0|3,0,0]=4 2804 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,1,0,0,0,0|3,0,0]=4 2805 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,1,0,0,0,0|3,0,0]=4 2806 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,1,0,0,0,0|3,0,0]=4 2807 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,0|1,0,0]=2 2808 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,0|2,0,0]=3 2809 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,1,0,0,0,0|2,0,0]=3 2810 B12R1.27 CC(CN)OCc1cccnn1 34a_100000210904_100016990269 [0,1,0,0,0,0|3,0,0]=4 2811 B12R1.27 CC(CN)OCc1cnccn1 34a_100000210904_100016995436 [0,1,0,0,0,0|3,0,0]=4 2812 B12R1.27 CC(CN)OCc1cncnc1 34a_100000210904_100015196519 [0,1,0,0,0,0|3,0,0]=4 2813 B12R1.27 CC(CN)OCc1ncccn1 34a_100000210904_100000703007 [0,1,0,0,0,0|3,0,0]=4 2814 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,1,0,0,0,0|2,0,0]=3 2815 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,1,0,0,0,0|2,0,0]=3 2816 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,1,0,0,0,0|2,0,0]=3 2817 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,1,0,0,0,0|2,0,0]=3 2818 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,1,0,0,0,0|2,0,0]=3 2819 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,1,0,0,0,0|3,0,0]=4 2820 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,1,0,0,0,0|3,0,0]=4 2821 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,1,0,0,0,0|3,0,0]=4 2822 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,1,0,0,0,0|3,0,0]=4 2823 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,1,0,0,0,0|3,0,0]=4 2824 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,1,0,0,0,0|3,0,0]=4 2825 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,1,0,0,0,0|3,0,0]=4 2826 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,0|1,0,1]=3 2827 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,0|1,0,1]=3 2828 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,0|2,0,1]=4 2829 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,0|2,0,1]=4 2830 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,0|2,0,1]=4 2831 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,0|2,0,1]=4 2832 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,0|2,0,1]=4 2833 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,0|2,0,1]=4 2834 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,0|2,0,1]=4 2835 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,0|2,0,1]=4 2836 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,0|2,0,1]=4 2837 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,0|2,0,1]=4 2838 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,0|2,0,1]=4 2839 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 2840 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 2841 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 2842 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 2843 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,1,0,0,0,0|2,0,0]=3 2844 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,0,0,0|2,0,0]=3 2845 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,0,0,0|2,0,0]=3 2846 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,1,0,0,0,0|3,0,0]=4 2847 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,1,0,0,0,0|3,0,0]=4 2848 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,1,0,0,0,0|3,0,0]=4 2849 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,1,0,0,0,0|2,0,0]=3 2850 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,1,0,0,0,0|2,0,0]=3 2851 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,1,0,0,0,0|3,0,0]=4 2852 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,1,0,0,0,0|3,0,0]=4 2853 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,1,0,0,0,0|3,0,0]=4 2854 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,1,0,0,0,0|3,0,0]=4 2855 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,1,0,0,0,0|3,0,0]=4 2856 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,1,0,0,0,0|3,0,0]=4 2857 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,0,0,0,0|2,0,0]=3 2858 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,0,0,0,0|2,0,0]=3 2859 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,0,0,0,0|2,0,0]=3 2860 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,0,0,0,0|2,0,0]=3 2861 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,0,0,0,0|2,0,0]=3 2862 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,0,0,0,0|3,0,0]=4 2863 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,0,0,0,0|3,0,0]=4 2864 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,0,0,0,0|3,0,0]=4 2865 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,1,0,0,0,0|3,0,0]=4 2866 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,1,0,0,0,0|3,0,0]=4 2867 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,1,0,0,0,0|3,0,0]=4 2868 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,1,0,0,0,0|3,0,0]=4 2869 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,1,0,0,0,0|3,0,0]=4 2870 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,0,0,0|2,0,0]=3 2871 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,0,0,0|2,0,0]=3 2872 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,0,0,0|2,0,0]=3 2873 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,1,0,0,0,0|3,0,0]=4 2874 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,1,0,0,0,0|3,0,0]=4 2875 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,1,0,0,0,0|3,0,0]=4 2876 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,0,0,0,0|2,0,0]=3 2877 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,0,0,0,0|2,0,0]=3 2878 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,1,0,0,0,0|3,0,0]=4 2879 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,1,0,0,0,0|3,0,0]=4 2880 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,1,0,0,0,0|3,0,0]=4 2881 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,1,0,0,0,0|3,0,0]=4 2882 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,1,0,0,0,0|3,0,0]=4 2883 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,1,0,0,0,0|3,0,0]=4 2884 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,0,0,0|2,0,0]=3 2885 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,0|2,0,0]=3 2886 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,0|2,0,0]=3 2887 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,1,0,0,0,0|3,0,0]=4 2888 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,1,0,0,0,0|3,0,0]=4 2889 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,1,0,0,0,0|3,0,0]=4 2890 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,0,0,0|2,0,0]=3 2891 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,0,0,0|2,0,0]=3 2892 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,1,0,0,0,0|3,0,0]=4 2893 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,1,0,0,0,0|3,0,0]=4 2894 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,1,0,0,0,0|3,0,0]=4 2895 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,1,0,0,0,0|3,0,0]=4 2896 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,1,0,0,0,0|3,0,0]=4 2897 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,1,0,0,0,0|3,0,0]=4 2898 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,1,0,0,0,0|2,0,0]=3 2899 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,1,0,0,0,0|2,0,0]=3 2900 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,1,0,0,0,0|2,0,0]=3 2901 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,1,0,0,0,0|2,0,0]=3 2902 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,1,0,0,0,0|2,0,0]=3 2903 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,1,0,0,0,0|2,0,0]=3 2904 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,1,0,0,0,0|3,0,0]=4 2905 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,1,0,0,0,0|3,0,0]=4 2906 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,1,0,0,0,0|3,0,0]=4 2907 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,1,0,0,0,0|3,0,0]=4 2908 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,1,0,0,0,0|3,0,0]=4 2909 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,1,0,0,0,0|3,0,0]=4 2910 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,1,0,0,0,0|3,0,0]=4 2911 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,1,0,0,0,0|3,0,0]=4 2912 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,1,0,0,0,0|3,0,0]=4 2913 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,1,0,0,0,0|3,0,0]=4 2914 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,1,0,0,0,0|3,0,0]=4 2915 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,1,0,0,0,0|3,0,0]=4 2916 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,1,0,0,0,0|3,0,0]=4 2917 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,1,0,0,0,0|3,0,0]=4 2918 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,1,0,0,0,0|3,0,0]=4 2919 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,1,0,0,0,0|3,0,0]=4 2920 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,1,0,0,0,0|2,0,0]=3 2921 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,1,0,0,0,0|2,0,0]=3 2922 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,1,0,0,0,0|3,0,0]=4 2923 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,1,0,0,0,0|3,0,0]=4 2924 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,1,0,0,0,0|2,0,0]=3 2925 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,0,0,0|2,0,0]=3 2926 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,0,0,0|2,0,0]=3 2927 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,1,0,0,0,0|3,0,0]=4 2928 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,1,0,0,0,0|3,0,0]=4 2929 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,1,0,0,0,0|3,0,0]=4 2930 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,1,0,0,0,0|2,0,0]=3 2931 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,1,0,0,0,0|2,0,0]=3 2932 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,1,0,0,0,0|3,0,0]=4 2933 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,1,0,0,0,0|3,0,0]=4 2934 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,1,0,0,0,0|3,0,0]=4 2935 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,1,0,0,0,0|3,0,0]=4 2936 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,1,0,0,0,0|3,0,0]=4 2937 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,1,0,0,0,0|3,0,0]=4 2938 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,1,0,0,0,0|2,0,0]=3 2939 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,1,0,0,0,0|3,0,0]=4 2940 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [0,1,0,0,0,0|3,0,0]=4 2941 B12R1.27 CN(CF)CCc1ccncc1 269982a_100000742850_100015361967 [0,1,0,0,0,0|3,0,0]=4 2942 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,0|2,0,1]=4 2943 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,0|2,0,1]=4 2944 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,0|2,0,1]=4 2945 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,0|2,0,1]=4 2946 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,1,0,0,0,0|2,0,0]=3 2947 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,1,0,0,0,0|2,0,0]=3 2948 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,1,0,0,0,0|2,0,0]=3 2949 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,1,0,0,0,0|3,0,0]=4 2950 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,1,0,0,0,0|3,0,0]=4 2951 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,1,0,0,0,0|3,0,0]=4 2952 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,1,0,0,0,0|3,0,0]=4 2953 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,1,0,0,0,0|3,0,0]=4 2954 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,1,0,0,0,0|3,0,0]=4 2955 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,1,0,0,0,0|3,0,0]=4 2956 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,1,0,0,0,0|3,0,0]=4 2957 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,0|2,0,0]=3 2958 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,0|2,0,0]=3 2959 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,0|2,0,0]=3 2960 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,0|2,0,0]=3 2961 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,1,0,0,0,0|2,0,0]=3 2962 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,1,0,0,0,0|2,0,0]=3 2963 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,1,0,0,0,0|2,0,0]=3 2964 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,1,0,0,0,0|3,0,0]=4 2965 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,1,0,0,0,0|3,0,0]=4 2966 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,1,0,0,0,0|3,0,0]=4 2967 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,1,0,0,0,0|2,0,0]=3 2968 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,1,0,0,0,0|2,0,0]=3 2969 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,1,0,0,0,0|3,0,0]=4 2970 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,1,0,0,0,0|3,0,0]=4 2971 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,1,0,0,0,0|3,0,0]=4 2972 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,1,0,0,0,0|3,0,0]=4 2973 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,1,0,0,0,0|3,0,0]=4 2974 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,1,0,0,0,0|3,0,0]=4 2975 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,1,0,0,0,0|2,0,0]=3 2976 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,1,0,0,0,0|2,0,0]=3 2977 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,1,0,0,0,0|3,0,0]=4 2978 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,1,0,0,0,0|3,0,0]=4 2979 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,1,0,0,0,0|3,0,0]=4 2980 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,1,0,0,0,0|3,0,0]=4 2981 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,1,0,0,0,0|3,0,0]=4 2982 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,1,0,0,0,0|2,0,0]=3 2983 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,1,0,0,0,0|2,0,0]=3 2984 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,1,0,0,0,0|2,0,0]=3 2985 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,1,0,0,0,0|3,0,0]=4 2986 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,1,0,0,0,0|3,0,0]=4 2987 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,1,0,0,0,0|3,0,0]=4 2988 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,1,0,0,0,0|3,0,0]=4 2989 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,1,0,0,0,0|3,0,0]=4 2990 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,1,0,0,0,0|3,0,0]=4 2991 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,1,0,0,0,0|3,0,0]=4 2992 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,1,0,0,0,0|3,0,0]=4 2993 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,1,0,0,0,0|2,0,0]=3 2994 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,1,0,0,0,0|2,0,0]=3 2995 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,1,0,0,0,0|3,0,0]=4 2996 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,1,0,0,0,0|3,0,0]=4 2997 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,1,0,0,0,0|3,0,0]=4 2998 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,1,0,0,0,0|3,0,0]=4 2999 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,1,0,0,0,0|3,0,0]=4 3000 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,1,0,0,0,0|3,0,0]=4 3001 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,1,0,0,0,0|1,0,2]=4 3002 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,1,0,0,0,0|1,0,2]=4 3003 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,0|1,0,1]=3 3004 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,0|2,0,1]=4 3005 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,0|2,0,1]=4 3006 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,1,0,0,0,0|2,0,1]=4 3007 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,0|2,0,1]=4 3008 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,0|2,0,1]=4 3009 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,0|1,0,1]=3 3010 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,0|2,0,1]=4 3011 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,0|2,0,1]=4 3012 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,0|2,0,1]=4 3013 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,0|2,0,1]=4 3014 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,0|2,0,1]=4 3015 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,1,0,0,0,0|2,0,0]=3 3016 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,1,0,0,0,0|2,0,0]=3 3017 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,1,0,0,0,0|2,0,0]=3 3018 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,1,0,0,0,0|3,0,0]=4 3019 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,1,0,0,0,0|3,0,0]=4 3020 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [0,1,0,0,0,0|3,0,0]=4 3021 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,1,0,0,0,0|2,0,0]=3 3022 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,1,0,0,0,0|2,0,0]=3 3023 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,1,0,0,0,0|3,0,0]=4 3024 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,1,0,0,0,0|3,0,0]=4 3025 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [0,1,0,0,0,0|3,0,0]=4 3026 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [0,1,0,0,0,0|3,0,0]=4 3027 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [0,1,0,0,0,0|3,0,0]=4 3028 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [0,1,0,0,0,0|3,0,0]=4 3029 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,1,0,0,0,0|2,0,0]=3 3030 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,1,0,0,0,0|2,0,0]=3 3031 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,1,0,0,0,0|2,0,0]=3 3032 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,1,0,0,0,0|3,0,0]=4 3033 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,1,0,0,0,0|3,0,0]=4 3034 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [0,1,0,0,0,0|3,0,0]=4 3035 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,1,0,0,0,0|2,0,0]=3 3036 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,1,0,0,0,0|2,0,0]=3 3037 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,1,0,0,0,0|3,0,0]=4 3038 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,1,0,0,0,0|3,0,0]=4 3039 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [0,1,0,0,0,0|3,0,0]=4 3040 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [0,1,0,0,0,0|3,0,0]=4 3041 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [0,1,0,0,0,0|3,0,0]=4 3042 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [0,1,0,0,0,0|3,0,0]=4 3043 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,1,0,0,0,0|2,0,0]=3 3044 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,1,0,0,0,0|2,0,0]=3 3045 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,1,0,0,0,0|2,0,0]=3 3046 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [0,1,0,0,0,0|3,0,0]=4 3047 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [0,1,0,0,0,0|3,0,0]=4 3048 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [0,1,0,0,0,0|3,0,0]=4 3049 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,1,0,0,0,0|2,0,0]=3 3050 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,1,0,0,0,0|2,0,0]=3 3051 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,1,0,0,0,0|3,0,0]=4 3052 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,1,0,0,0,0|3,0,0]=4 3053 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100000210063_100015614560 [0,1,0,0,0,0|3,0,0]=4 3054 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100015614560_100000210063 [0,1,0,0,0,0|3,0,0]=4 3055 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100000728582_100015614560 [0,1,0,0,0,0|3,0,0]=4 3056 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100015614560_100000728582 [0,1,0,0,0,0|3,0,0]=4 3057 B12R1.28 BrCCOCc1cc(ccn1)Br 34a_100000211926_100010173614 [0,1,0,0,0,0|3,0,0]=4 3058 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [0,1,0,0,0,0|2,0,0]=3 3059 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [0,1,0,0,0,0|2,0,0]=3 3060 B12R1.28 BrCCOCc1cccc(n1)Br 34a_100000211926_100009889011 [0,1,0,0,0,0|3,0,0]=4 3061 B12R1.28 BrCCOCc1ccnc(c1)Br 34a_100000211926_100010243470 [0,1,0,0,0,0|3,0,0]=4 3062 B12R1.28 BrCCOCc1cncc(c1)Br 34a_100000211926_100000738771 [0,1,0,0,0,0|3,0,0]=4 3063 B12R1.28 C#CCCNc1cccc(c1)Br 34a_100000210019_100000688953 [0,1,0,0,0,0|2,0,1]=4 3064 B12R1.28 C#CCCNc1cccc(c1)C 2230a_100000188690_100000688953 [0,1,0,0,0,0|2,0,1]=4 3065 B12R1.28 C#CCCNc1cccc(c1)C 34a_100000188690_100000688953 [0,1,0,0,0,0|2,0,1]=4 3066 B12R1.28 C#CCCNc1cccc(c1)Cl 34a_100000185859_100000688953 [0,1,0,0,0,0|2,0,1]=4 3067 B12R1.28 C#CCCNc1cccc(c1)F 34a_100000210047_100000688953 [0,1,0,0,0,0|2,0,1]=4 3068 B12R1.28 C#CCCNc1cccc(c1)I 34a_100000211102_100000688953 [0,1,0,0,0,0|2,0,1]=4 3069 B12R1.28 C#CCCNc1cccc(c1)O 34a_100000210217_100000688953 [0,1,0,0,0,0|2,0,1]=4 3070 B12R1.28 C#CCCOc1cccc(c1)Br 34a_100000210342_100000688953 [0,1,0,0,0,0|2,0,1]=4 3071 B12R1.28 C#CCCOc1cccc(c1)Br 7a_100000210342_100000688953 [0,1,0,0,0,0|2,0,1]=4 3072 B12R1.28 C#CCCOc1cccc(c1)C 34a_100000210337_100000688953 [0,1,0,0,0,0|2,0,1]=4 3073 B12R1.28 C#CCCOc1cccc(c1)C 7a_100000210337_100000688953 [0,1,0,0,0,0|2,0,1]=4 3074 B12R1.28 C#CCCOc1cccc(c1)Cl 34a_100000210295_100000688953 [0,1,0,0,0,0|2,0,1]=4 3075 B12R1.28 C#CCCOc1cccc(c1)Cl 7a_100000210295_100000688953 [0,1,0,0,0,0|2,0,1]=4 3076 B12R1.28 C#CCCOc1cccc(c1)F 34a_100000210426_100000688953 [0,1,0,0,0,0|2,0,1]=4 3077 B12R1.28 C#CCCOc1cccc(c1)F 7a_100000210426_100000688953 [0,1,0,0,0,0|2,0,1]=4 3078 B12R1.28 C#CCCOc1cccc(c1)I 34a_100000211634_100000688953 [0,1,0,0,0,0|2,0,1]=4 3079 B12R1.28 C#CCCOc1cccc(c1)I 7a_100000211634_100000688953 [0,1,0,0,0,0|2,0,1]=4 3080 B12R1.28 C#CCCOc1cccc(c1)N 34a_100000210217_100000688953 [0,1,0,0,0,0|2,0,1]=4 3081 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000688953_100000691529 [0,1,0,0,0,0|2,0,1]=4 3082 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000691529_100000688953 [0,1,0,0,0,0|2,0,1]=4 3083 B12R1.28 C#CCCSc1cccc(c1)C 62a_100000688953_100011215228 [0,1,0,0,0,0|2,0,1]=4 3084 B12R1.28 C#CCCSc1cccc(c1)C 62a_100011215228_100000688953 [0,1,0,0,0,0|2,0,1]=4 3085 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000688953_100000699651 [0,1,0,0,0,0|2,0,1]=4 3086 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000699651_100000688953 [0,1,0,0,0,0|2,0,1]=4 3087 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000685547_100000688953 [0,1,0,0,0,0|2,0,1]=4 3088 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000688953_100000685547 [0,1,0,0,0,0|2,0,1]=4 3089 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000210019_100000688953 [0,1,0,0,0,0|2,0,1]=4 3090 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000688953_100000210019 [0,1,0,0,0,0|2,0,1]=4 3091 B12R1.28 C#CCCSc1cccc(c1)O 62a_100000688953_100000211634 [0,1,0,0,0,0|2,0,1]=4 3092 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_100000688953_114929384022 [0,1,0,0,0,0|2,0,1]=4 3093 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_114929384022_100000688953 [0,1,0,0,0,0|2,0,1]=4 3094 B12R1.28 C#CCNCc1cccc(c1)Br 2230a_100000174977_100000038162 [0,1,0,0,0,0|2,0,1]=4 3095 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000174977_100000184674 [0,1,0,0,0,0|2,0,1]=4 3096 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000212058_100000698116 [0,1,0,0,0,0|2,0,1]=4 3097 B12R1.28 C#CCNCc1cccc(c1)C 2230a_100000185548_100000038162 [0,1,0,0,0,0|2,0,1]=4 3098 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000185548_100000184674 [0,1,0,0,0,0|2,0,1]=4 3099 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000212058_100000211840 [0,1,0,0,0,0|2,0,1]=4 3100 B12R1.28 C#CCNCc1cccc(c1)Cl 2230a_100000174878_100000038162 [0,1,0,0,0,0|2,0,1]=4 3101 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000174878_100000184674 [0,1,0,0,0,0|2,0,1]=4 3102 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000212058_100000187163 [0,1,0,0,0,0|2,0,1]=4 3103 B12R1.28 C#CCNCc1cccc(c1)F 2230a_100000174948_100000038162 [0,1,0,0,0,0|2,0,1]=4 3104 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000174948_100000184674 [0,1,0,0,0,0|2,0,1]=4 3105 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000212058_100000187166 [0,1,0,0,0,0|2,0,1]=4 3106 B12R1.28 C#CCNCc1cccc(c1)I 2230a_100000106179_100000038162 [0,1,0,0,0,0|2,0,1]=4 3107 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000106179_100000184674 [0,1,0,0,0,0|2,0,1]=4 3108 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000212058_100011218688 [0,1,0,0,0,0|2,0,1]=4 3109 B12R1.28 C#CCNCc1cccc(c1)O 2230a_100000743036_100000038162 [0,1,0,0,0,0|2,0,1]=4 3110 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000212058_100011660834 [0,1,0,0,0,0|2,0,1]=4 3111 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000743036_100000184674 [0,1,0,0,0,0|2,0,1]=4 3112 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000210247_100000698116 [0,1,0,0,0,0|2,0,1]=4 3113 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000687537_100000184674 [0,1,0,0,0,0|2,0,1]=4 3114 B12R1.28 C#CCOCc1cccc(c1)Br 7a_100000687537_100000038162 [0,1,0,0,0,0|2,0,1]=4 3115 B12R1.28 C#CCOCc1cccc(c1)C 34a_100000210247_100000211840 [0,1,0,0,0,0|2,0,1]=4 3116 B12R1.28 C#CCOCc1cccc(c1)C 34a_100011217746_100000184674 [0,1,0,0,0,0|2,0,1]=4 3117 B12R1.28 C#CCOCc1cccc(c1)C 7a_100011217746_100000038162 [0,1,0,0,0,0|2,0,1]=4 3118 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000210247_100000187163 [0,1,0,0,0,0|2,0,1]=4 3119 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000241301_100000184674 [0,1,0,0,0,0|2,0,1]=4 3120 B12R1.28 C#CCOCc1cccc(c1)Cl 7a_100000241301_100000038162 [0,1,0,0,0,0|2,0,1]=4 3121 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210247_100000187166 [0,1,0,0,0,0|2,0,1]=4 3122 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210976_100000184674 [0,1,0,0,0,0|2,0,1]=4 3123 B12R1.28 C#CCOCc1cccc(c1)F 7a_100000210976_100000038162 [0,1,0,0,0,0|2,0,1]=4 3124 B12R1.28 C#CCOCc1cccc(c1)I 34a_100000210247_100011218688 [0,1,0,0,0,0|2,0,1]=4 3125 B12R1.28 C#CCOCc1cccc(c1)I 34a_100011215336_100000184674 [0,1,0,0,0,0|2,0,1]=4 3126 B12R1.28 C#CCOCc1cccc(c1)I 7a_100011215336_100000038162 [0,1,0,0,0,0|2,0,1]=4 3127 B12R1.28 C#CCOCc1cccc(c1)N 34a_100000211919_100000184674 [0,1,0,0,0,0|2,0,1]=4 3128 B12R1.28 C#CCOCc1cccc(c1)O 34a_100000210247_100011660834 [0,1,0,0,0,0|2,0,1]=4 3129 B12R1.28 C#CCSCc1cccc(c1)Br 62a_100000038162_100000211773 [0,1,0,0,0,0|2,0,1]=4 3130 B12R1.28 C#CCSCc1cccc(c1)C 62a_100000038162_100000211840 [0,1,0,0,0,0|2,0,1]=4 3131 B12R1.28 C#CCSCc1cccc(c1)Cl 62a_100000038162_100000187163 [0,1,0,0,0,0|2,0,1]=4 3132 B12R1.28 C#CCSCc1cccc(c1)F 62a_100000038162_100000230114 [0,1,0,0,0,0|2,0,1]=4 3133 B12R1.28 C#CCSCc1cccc(c1)I 62a_100000038162_100011218688 [0,1,0,0,0,0|2,0,1]=4 3134 B12R1.28 C#CCSCc1cccc(c1)O 62a_100000038162_100011660834 [0,1,0,0,0,0|2,0,1]=4 3135 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [0,1,0,0,0,0|2,0,1]=4 3136 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,1,0,0,0,0|2,0,1]=4 3137 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,1,0,0,0,0|2,0,1]=4 3138 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [0,1,0,0,0,0|2,0,1]=4 3139 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [0,1,0,0,0,0|2,0,1]=4 3140 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [0,1,0,0,0,0|2,0,1]=4 3141 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [0,1,0,0,0,0|2,0,1]=4 3142 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [0,1,0,0,0,0|2,0,1]=4 3143 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [0,1,0,0,0,0|2,0,1]=4 3144 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,1,0,0,0,0|2,0,1]=4 3145 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,1,0,0,0,0|2,0,1]=4 3146 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,1,0,0,0,0|2,0,1]=4 3147 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,1,0,0,0,0|2,0,1]=4 3148 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [0,1,0,0,0,0|2,0,1]=4 3149 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [0,1,0,0,0,0|2,0,1]=4 3150 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [0,1,0,0,0,0|2,0,1]=4 3151 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [0,1,0,0,0,0|2,0,1]=4 3152 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [0,1,0,0,0,0|2,0,1]=4 3153 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [0,1,0,0,0,0|2,0,1]=4 3154 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [0,1,0,0,0,0|2,0,1]=4 3155 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,1,0,0,0,0|2,0,1]=4 3156 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,1,0,0,0,0|2,0,1]=4 3157 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [0,1,0,0,0,0|2,0,1]=4 3158 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [0,1,0,0,0,0|2,0,1]=4 3159 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [0,1,0,0,0,0|2,0,1]=4 3160 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [0,1,0,0,0,0|2,0,1]=4 3161 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [0,1,0,0,0,0|2,0,1]=4 3162 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [0,1,0,0,0,0|2,0,1]=4 3163 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [0,1,0,0,0,0|2,0,1]=4 3164 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [0,1,0,0,0,0|2,0,1]=4 3165 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [0,1,0,0,0,0|2,0,1]=4 3166 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [0,1,0,0,0,0|2,0,1]=4 3167 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [0,1,0,0,0,0|2,0,1]=4 3168 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [0,1,0,0,0,0|2,0,1]=4 3169 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [0,1,0,0,0,0|2,0,1]=4 3170 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [0,1,0,0,0,0|2,0,1]=4 3171 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [0,1,0,0,0,0|2,0,1]=4 3172 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [0,1,0,0,0,0|2,0,1]=4 3173 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [0,1,0,0,0,0|2,0,1]=4 3174 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [0,1,0,0,0,0|2,0,1]=4 3175 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [0,1,0,0,0,0|2,0,1]=4 3176 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [0,1,0,0,0,0|2,0,1]=4 3177 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [0,1,0,0,0,0|2,0,1]=4 3178 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [0,1,0,0,0,0|2,0,1]=4 3179 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [0,1,0,0,0,0|2,0,1]=4 3180 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [0,1,0,0,0,0|2,0,1]=4 3181 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [0,1,0,0,0,0|2,0,1]=4 3182 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [0,1,0,0,0,0|2,0,1]=4 3183 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [0,1,0,0,0,0|2,0,1]=4 3184 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [0,1,0,0,0,0|2,0,1]=4 3185 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [0,1,0,0,0,0|2,0,1]=4 3186 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [0,1,0,0,0,0|2,0,1]=4 3187 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [0,1,0,0,0,0|2,0,1]=4 3188 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [0,1,0,0,0,0|2,0,1]=4 3189 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [0,1,0,0,0,0|2,0,1]=4 3190 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [0,1,0,0,0,0|2,0,1]=4 3191 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [0,1,0,0,0,0|2,0,1]=4 3192 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [0,1,0,0,0,0|2,0,1]=4 3193 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,1,0,0,0,0|2,0,1]=4 3194 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,1,0,0,0,0|2,0,1]=4 3195 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,1,0,0,0,0|2,0,1]=4 3196 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,1,0,0,0,0|2,0,1]=4 3197 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,1,0,0,0,0|2,0,1]=4 3198 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,1,0,0,0,0|2,0,1]=4 3199 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [0,1,0,0,0,0|2,0,1]=4 3200 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [0,1,0,0,0,0|2,0,1]=4 3201 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [0,1,0,0,0,0|2,0,1]=4 3202 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [0,1,0,0,0,0|2,0,1]=4 3203 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [0,1,0,0,0,0|2,0,1]=4 3204 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [0,1,0,0,0,0|2,0,1]=4 3205 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [0,1,0,0,0,0|2,0,1]=4 3206 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [0,1,0,0,0,0|2,0,1]=4 3207 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [0,1,0,0,0,0|2,0,1]=4 3208 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [0,1,0,0,0,0|2,0,1]=4 3209 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [0,1,0,0,0,0|2,0,1]=4 3210 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [0,1,0,0,0,0|2,0,1]=4 3211 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [0,1,0,0,0,0|2,0,1]=4 3212 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [0,1,0,0,0,0|2,0,1]=4 3213 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [0,1,0,0,0,0|2,0,1]=4 3214 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [0,1,0,0,0,0|2,0,1]=4 3215 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [0,1,0,0,0,0|2,0,1]=4 3216 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [0,1,0,0,0,0|2,0,1]=4 3217 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [0,1,0,0,0,0|2,0,1]=4 3218 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [0,1,0,0,0,0|2,0,1]=4 3219 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [0,1,0,0,0,0|1,0,2]=4 3220 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [0,1,0,0,0,0|1,0,2]=4 3221 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [0,1,0,0,0,0|1,0,2]=4 3222 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [0,1,0,0,0,0|1,0,2]=4 3223 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [0,1,0,0,0,0|1,0,2]=4 3224 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [0,1,0,0,0,0|1,0,2]=4 3225 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [0,1,0,0,0,0|1,0,2]=4 3226 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [0,1,0,0,0,0|3,0,0]=4 3227 B12R1.28 CCCCNc1cc[nH]c(=O)c1 27a_100000102301_100000061649 [0,1,0,0,0,0|3,0,0]=4 3228 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,1,0,0,0,0|2,0,0]=3 3229 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,1,0,0,0,0|2,0,0]=3 3230 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,1,0,0,0,0|2,0,0]=3 3231 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,1,0,0,0,0|2,0,0]=3 3232 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,1,0,0,0,0|2,0,0]=3 3233 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,1,0,0,0,0|2,0,0]=3 3234 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,1,0,0,0,0|2,0,0]=3 3235 B12R1.28 CCCCNc1cccc(n1)F 27a_100000102301_100009815982 [0,1,0,0,0,0|3,0,0]=4 3236 B12R1.28 CCCCNc1ccnc(c1)C 27a_100000102301_100000758586 [0,1,0,0,0,0|3,0,0]=4 3237 B12R1.28 CCCCNc1ccnc(c1)F 27a_100000102301_100009816116 [0,1,0,0,0,0|3,0,0]=4 3238 B12R1.28 CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210210 [0,1,0,0,0,0|3,0,0]=4 3239 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210210 [0,1,0,0,0,0|3,0,0]=4 3240 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210211 [0,1,0,0,0,0|3,0,0]=4 3241 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [0,1,0,0,0,0|3,0,0]=4 3242 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,1,0,0,0,0|2,0,0]=3 3243 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,1,0,0,0,0|2,0,0]=3 3244 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,1,0,0,0,0|2,0,0]=3 3245 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,1,0,0,0,0|2,0,0]=3 3246 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,1,0,0,0,0|2,0,0]=3 3247 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,1,0,0,0,0|2,0,0]=3 3248 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,1,0,0,0,0|2,0,0]=3 3249 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,1,0,0,0,0|2,0,0]=3 3250 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,1,0,0,0,0|2,0,0]=3 3251 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,1,0,0,0,0|2,0,0]=3 3252 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,1,0,0,0,0|2,0,0]=3 3253 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,1,0,0,0,0|2,0,0]=3 3254 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [0,1,0,0,0,0|3,0,0]=4 3255 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,1,0,0,0,0|3,0,0]=4 3256 B12R1.28 CCCCOc1ccnc(c1)C 34a_100000688365_100000210210 [0,1,0,0,0,0|3,0,0]=4 3257 B12R1.28 CCCCOc1ccnc(c1)Cl 34a_100000762945_100000210210 [0,1,0,0,0,0|3,0,0]=4 3258 B12R1.28 CCCCOc1ccnc(c1)F 34a_100000732698_100000210210 [0,1,0,0,0,0|3,0,0]=4 3259 B12R1.28 CCCCOc1ccnc(c1)N 34a_100011834064_100000210210 [0,1,0,0,0,0|3,0,0]=4 3260 B12R1.28 CCCCOc1cncc(c1)Br 34a_100000754920_100000210210 [0,1,0,0,0,0|3,0,0]=4 3261 B12R1.28 CCCCOc1cncc(c1)Br 7a_100000754920_100000210211 [0,1,0,0,0,0|3,0,0]=4 3262 B12R1.28 CCCCOc1cncc(c1)C 34a_100011830280_100000210210 [0,1,0,0,0,0|3,0,0]=4 3263 B12R1.28 CCCCOc1cncc(c1)C 7a_100011830280_100000210211 [0,1,0,0,0,0|3,0,0]=4 3264 B12R1.28 CCCCOc1cncc(c1)Cl 7a_100000032511_100000210211 [0,1,0,0,0,0|3,0,0]=4 3265 B12R1.28 CCCCOc1cncc(c1)F 34a_100011830296_100000210210 [0,1,0,0,0,0|3,0,0]=4 3266 B12R1.28 CCCCOc1cncc(c1)F 7a_100011830296_100000210211 [0,1,0,0,0,0|3,0,0]=4 3267 B12R1.28 CCCCOc1cncc(c1)N 34a_100011997051_100000210210 [0,1,0,0,0,0|3,0,0]=4 3268 B12R1.28 CCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210210 [0,1,0,0,0,0|3,0,0]=4 3269 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [0,1,0,0,0,0|3,0,0]=4 3270 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [0,1,0,0,0,0|3,0,0]=4 3271 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [0,1,0,0,0,0|3,0,0]=4 3272 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [0,1,0,0,0,0|3,0,0]=4 3273 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [0,1,0,0,0,0|3,0,0]=4 3274 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [0,1,0,0,0,0|3,0,0]=4 3275 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [0,1,0,0,0,0|3,0,0]=4 3276 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [0,1,0,0,0,0|3,0,0]=4 3277 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [0,1,0,0,0,0|3,0,0]=4 3278 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100000210211_100009816521 [0,1,0,0,0,0|3,0,0]=4 3279 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210210 [0,1,0,0,0,0|3,0,0]=4 3280 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100000210211_100009996589 [0,1,0,0,0,0|3,0,0]=4 3281 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100009996589_100000210210 [0,1,0,0,0,0|3,0,0]=4 3282 B12R1.28 CCCCSc1ccc[n+](c1)[O-] 62a_100000210211_100009815978 [0,1,0,0,0,0|3,0,0]=4 3283 B12R1.28 CCCCSc1cccc(=O)[nH]1 62a_100000210211_100000752884 [0,1,0,0,0,0|3,0,0]=4 3284 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,1,0,0,0,0|2,0,0]=3 3285 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,1,0,0,0,0|2,0,0]=3 3286 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,1,0,0,0,0|2,0,0]=3 3287 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,1,0,0,0,0|2,0,0]=3 3288 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,1,0,0,0,0|2,0,0]=3 3289 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,1,0,0,0,0|2,0,0]=3 3290 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,1,0,0,0,0|2,0,0]=3 3291 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,1,0,0,0,0|2,0,0]=3 3292 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,1,0,0,0,0|2,0,0]=3 3293 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,1,0,0,0,0|2,0,0]=3 3294 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,1,0,0,0,0|2,0,0]=3 3295 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,1,0,0,0,0|2,0,0]=3 3296 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,1,0,0,0,0|2,0,0]=3 3297 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,1,0,0,0,0|2,0,0]=3 3298 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000210211_100000684672 [0,1,0,0,0,0|3,0,0]=4 3299 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000684672_100000210210 [0,1,0,0,0,0|3,0,0]=4 3300 B12R1.28 CCCCSc1cccc(n1)C 62a_100000210211_100000742759 [0,1,0,0,0,0|3,0,0]=4 3301 B12R1.28 CCCCSc1cccc(n1)C 62a_100000742759_100000210210 [0,1,0,0,0,0|3,0,0]=4 3302 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000051397_100000210210 [0,1,0,0,0,0|3,0,0]=4 3303 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000210211_100000051397 [0,1,0,0,0,0|3,0,0]=4 3304 B12R1.28 CCCCSc1cccc(n1)F 62a_100000210211_100009815982 [0,1,0,0,0,0|3,0,0]=4 3305 B12R1.28 CCCCSc1cccc(n1)F 62a_100009815982_100000210210 [0,1,0,0,0,0|3,0,0]=4 3306 B12R1.28 CCCCSc1cccc(n1)N 62a_100000210211_100000740741 [0,1,0,0,0,0|3,0,0]=4 3307 B12R1.28 CCCCSc1cccc(n1)N 62a_100000740741_100000210210 [0,1,0,0,0,0|3,0,0]=4 3308 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100000210211_100009814637 [0,1,0,0,0,0|3,0,0]=4 3309 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100009814637_100000210210 [0,1,0,0,0,0|3,0,0]=4 3310 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000210211_100000758586 [0,1,0,0,0,0|3,0,0]=4 3311 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000758586_100000210210 [0,1,0,0,0,0|3,0,0]=4 3312 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000035001_100000210210 [0,1,0,0,0,0|3,0,0]=4 3313 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000210211_100000035001 [0,1,0,0,0,0|3,0,0]=4 3314 B12R1.28 CCCCSc1ccnc(c1)F 62a_100000210211_100009816116 [0,1,0,0,0,0|3,0,0]=4 3315 B12R1.28 CCCCSc1ccnc(c1)F 62a_100009816116_100000210210 [0,1,0,0,0,0|3,0,0]=4 3316 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000049665_100000210210 [0,1,0,0,0,0|3,0,0]=4 3317 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000210211_100000049665 [0,1,0,0,0,0|3,0,0]=4 3318 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000210211_100000728054 [0,1,0,0,0,0|3,0,0]=4 3319 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000728054_100000210210 [0,1,0,0,0,0|3,0,0]=4 3320 B12R1.28 CCCCSc1cncc(c1)C 62a_100000210211_100000760492 [0,1,0,0,0,0|3,0,0]=4 3321 B12R1.28 CCCCSc1cncc(c1)C 62a_100000760492_100000210210 [0,1,0,0,0,0|3,0,0]=4 3322 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000049639_100000210210 [0,1,0,0,0,0|3,0,0]=4 3323 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000210211_100000049639 [0,1,0,0,0,0|3,0,0]=4 3324 B12R1.28 CCCCSc1cncc(c1)F 62a_100000210211_100000744099 [0,1,0,0,0,0|3,0,0]=4 3325 B12R1.28 CCCCSc1cncc(c1)F 62a_100000744099_100000210210 [0,1,0,0,0,0|3,0,0]=4 3326 B12R1.28 CCCCSc1cncc(c1)N 62a_100000210211_100000687067 [0,1,0,0,0,0|3,0,0]=4 3327 B12R1.28 CCCCSc1cncc(c1)N 62a_100000687067_100000210210 [0,1,0,0,0,0|3,0,0]=4 3328 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [0,1,0,0,0,0|3,0,0]=4 3329 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [0,1,0,0,0,0|3,0,0]=4 3330 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [0,1,0,0,0,0|3,0,0]=4 3331 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [0,1,0,0,0,0|3,0,0]=4 3332 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [0,1,0,0,0,0|3,0,0]=4 3333 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [0,1,0,0,0,0|3,0,0]=4 3334 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [0,1,0,0,0,0|3,0,0]=4 3335 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [0,1,0,0,0,0|3,0,0]=4 3336 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,1,0,0,0,0|2,0,0]=3 3337 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,1,0,0,0,0|2,0,0]=3 3338 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,1,0,0,0,0|2,0,0]=3 3339 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,1,0,0,0,0|2,0,0]=3 3340 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,1,0,0,0,0|2,0,0]=3 3341 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,1,0,0,0,0|2,0,0]=3 3342 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,1,0,0,0,0|2,0,0]=3 3343 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,1,0,0,0,0|2,0,0]=3 3344 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,1,0,0,0,0|2,0,0]=3 3345 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,1,0,0,0,0|2,0,0]=3 3346 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,1,0,0,0,0|2,0,0]=3 3347 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,1,0,0,0,0|2,0,0]=3 3348 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,1,0,0,0,0|2,0,0]=3 3349 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,1,0,0,0,0|2,0,0]=3 3350 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,1,0,0,0,0|2,0,0]=3 3351 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,1,0,0,0,0|2,0,0]=3 3352 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,1,0,0,0,0|2,0,0]=3 3353 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,1,0,0,0,0|2,0,0]=3 3354 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,1,0,0,0,0|2,0,0]=3 3355 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,1,0,0,0,0|2,0,0]=3 3356 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,1,0,0,0,0|2,0,0]=3 3357 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,1,0,0,0,0|2,0,0]=3 3358 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,1,0,0,0,0|2,0,0]=3 3359 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,1,0,0,0,0|2,0,0]=3 3360 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,1,0,0,0,0|2,0,0]=3 3361 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [0,1,0,0,0,0|3,0,0]=4 3362 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [0,1,0,0,0,0|3,0,0]=4 3363 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [0,1,0,0,0,0|3,0,0]=4 3364 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [0,1,0,0,0,0|3,0,0]=4 3365 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [0,1,0,0,0,0|3,0,0]=4 3366 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [0,1,0,0,0,0|3,0,0]=4 3367 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [0,1,0,0,0,0|3,0,0]=4 3368 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [0,1,0,0,0,0|3,0,0]=4 3369 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [0,1,0,0,0,0|3,0,0]=4 3370 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [0,1,0,0,0,0|3,0,0]=4 3371 B12R1.28 CCCNCc1ccnc(c1)Br 2230a_100025757509_100000210303 [0,1,0,0,0,0|3,0,0]=4 3372 B12R1.28 CCCNCc1ccnc(c1)Br 270004a_100020643023_100009814634 [0,1,0,0,0,0|3,0,0]=4 3373 B12R1.28 CCCNCc1ccnc(c1)Br 34a_100025757509_100000210303 [0,1,0,0,0,0|3,0,0]=4 3374 B12R1.28 CCCNCc1ccnc(c1)C 207a_100020643023_100011361630 [0,1,0,0,0,0|3,0,0]=4 3375 B12R1.28 CCCNCc1ccnc(c1)C 270004a_100020643023_100011361630 [0,1,0,0,0,0|3,0,0]=4 3376 B12R1.28 CCCNCc1ccnc(c1)C 34a_100011934566_100000210303 [0,1,0,0,0,0|3,0,0]=4 3377 B12R1.28 CCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210303 [0,1,0,0,0,0|3,0,0]=4 3378 B12R1.28 CCCNCc1ccnc(c1)Cl 270004a_100020643023_100011290808 [0,1,0,0,0,0|3,0,0]=4 3379 B12R1.28 CCCNCc1ccnc(c1)Cl 34a_100015205668_100000210303 [0,1,0,0,0,0|3,0,0]=4 3380 B12R1.28 CCCNCc1ccnc(c1)F 2230a_100015188774_100000210303 [0,1,0,0,0,0|3,0,0]=4 3381 B12R1.28 CCCNCc1ccnc(c1)F 270004a_100020643023_100000068331 [0,1,0,0,0,0|3,0,0]=4 3382 B12R1.28 CCCNCc1ccnc(c1)F 34a_100015188774_100000210303 [0,1,0,0,0,0|3,0,0]=4 3383 B12R1.28 CCCNCc1ccnc(c1)O 207a_100020643023_100000688113 [0,1,0,0,0,0|3,0,0]=4 3384 B12R1.28 CCCNCc1cncc(c1)Br 207a_100020643023_100000687066 [0,1,0,0,0,0|3,0,0]=4 3385 B12R1.28 CCCNCc1cncc(c1)Br 270004a_100020643023_100000687066 [0,1,0,0,0,0|3,0,0]=4 3386 B12R1.28 CCCNCc1cncc(c1)C 207a_100020643023_100011998712 [0,1,0,0,0,0|3,0,0]=4 3387 B12R1.28 CCCNCc1cncc(c1)C 2230a_100000692839_100000210303 [0,1,0,0,0,0|3,0,0]=4 3388 B12R1.28 CCCNCc1cncc(c1)C 270004a_100020643023_100011998712 [0,1,0,0,0,0|3,0,0]=4 3389 B12R1.28 CCCNCc1cncc(c1)C 34a_100000692839_100000210303 [0,1,0,0,0,0|3,0,0]=4 3390 B12R1.28 CCCNCc1cncc(c1)Cl 207a_100020643023_100000088910 [0,1,0,0,0,0|3,0,0]=4 3391 B12R1.28 CCCNCc1cncc(c1)Cl 2230a_200020614424_100000210303 [0,1,0,0,0,0|3,0,0]=4 3392 B12R1.28 CCCNCc1cncc(c1)Cl 270004a_100020643023_100000088910 [0,1,0,0,0,0|3,0,0]=4 3393 B12R1.28 CCCNCc1cncc(c1)F 207a_100020643023_100011361476 [0,1,0,0,0,0|3,0,0]=4 3394 B12R1.28 CCCNCc1cncc(c1)F 2230a_100011962886_100000210303 [0,1,0,0,0,0|3,0,0]=4 3395 B12R1.28 CCCNCc1cncc(c1)F 270004a_100020643023_100011361476 [0,1,0,0,0,0|3,0,0]=4 3396 B12R1.28 CCCNCc1cncc(c1)F 34a_100011962886_100000210303 [0,1,0,0,0,0|3,0,0]=4 3397 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [0,1,0,0,0,0|3,0,0]=4 3398 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [0,1,0,0,0,0|3,0,0]=4 3399 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [0,1,0,0,0,0|3,0,0]=4 3400 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [0,1,0,0,0,0|3,0,0]=4 3401 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [0,1,0,0,0,0|3,0,0]=4 3402 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [0,1,0,0,0,0|3,0,0]=4 3403 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [0,1,0,0,0,0|3,0,0]=4 3404 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [0,1,0,0,0,0|3,0,0]=4 3405 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [0,1,0,0,0,0|3,0,0]=4 3406 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [0,1,0,0,0,0|3,0,0]=4 3407 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,1,0,0,0,0|2,0,0]=3 3408 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,1,0,0,0,0|2,0,0]=3 3409 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,1,0,0,0,0|2,0,0]=3 3410 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,1,0,0,0,0|2,0,0]=3 3411 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,1,0,0,0,0|2,0,0]=3 3412 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,1,0,0,0,0|2,0,0]=3 3413 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,1,0,0,0,0|2,0,0]=3 3414 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,1,0,0,0,0|2,0,0]=3 3415 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,1,0,0,0,0|2,0,0]=3 3416 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,1,0,0,0,0|2,0,0]=3 3417 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,1,0,0,0,0|2,0,0]=3 3418 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,1,0,0,0,0|2,0,0]=3 3419 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,1,0,0,0,0|2,0,0]=3 3420 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,1,0,0,0,0|2,0,0]=3 3421 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,1,0,0,0,0|2,0,0]=3 3422 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,1,0,0,0,0|2,0,0]=3 3423 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,1,0,0,0,0|2,0,0]=3 3424 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [0,1,0,0,0,0|3,0,0]=4 3425 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [0,1,0,0,0,0|3,0,0]=4 3426 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [0,1,0,0,0,0|3,0,0]=4 3427 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [0,1,0,0,0,0|3,0,0]=4 3428 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [0,1,0,0,0,0|3,0,0]=4 3429 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [0,1,0,0,0,0|3,0,0]=4 3430 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [0,1,0,0,0,0|3,0,0]=4 3431 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [0,1,0,0,0,0|3,0,0]=4 3432 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100000210258_100010243470 [0,1,0,0,0,0|3,0,0]=4 3433 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100009814636_100000210303 [0,1,0,0,0,0|3,0,0]=4 3434 B12R1.28 CCCOCc1ccnc(c1)Br 7a_100009814636_100000210303 [0,1,0,0,0,0|3,0,0]=4 3435 B12R1.28 CCCOCc1ccnc(c1)C 34a_100000210258_200020672517 [0,1,0,0,0,0|3,0,0]=4 3436 B12R1.28 CCCOCc1ccnc(c1)C 34a_100011998630_100000210303 [0,1,0,0,0,0|3,0,0]=4 3437 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000210258_100000764220 [0,1,0,0,0,0|3,0,0]=4 3438 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000748751_100000210303 [0,1,0,0,0,0|3,0,0]=4 3439 B12R1.28 CCCOCc1ccnc(c1)F 34a_100000082451_100000210303 [0,1,0,0,0,0|3,0,0]=4 3440 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [0,1,0,0,0,0|3,0,0]=4 3441 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [0,1,0,0,0,0|3,0,0]=4 3442 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [0,1,0,0,0,0|3,0,0]=4 3443 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [0,1,0,0,0,0|3,0,0]=4 3444 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [0,1,0,0,0,0|3,0,0]=4 3445 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [0,1,0,0,0,0|3,0,0]=4 3446 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [0,1,0,0,0,0|3,0,0]=4 3447 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [0,1,0,0,0,0|3,0,0]=4 3448 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [0,1,0,0,0,0|3,0,0]=4 3449 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [0,1,0,0,0,0|3,0,0]=4 3450 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [0,1,0,0,0,0|3,0,0]=4 3451 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [0,1,0,0,0,0|3,0,0]=4 3452 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [0,1,0,0,0,0|3,0,0]=4 3453 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [0,1,0,0,0,0|3,0,0]=4 3454 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [0,1,0,0,0,0|3,0,0]=4 3455 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [0,1,0,0,0,0|3,0,0]=4 3456 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [0,1,0,0,0,0|3,0,0]=4 3457 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [0,1,0,0,0,0|3,0,0]=4 3458 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [0,1,0,0,0,0|3,0,0]=4 3459 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,1,0,0,0,0|2,0,0]=3 3460 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,1,0,0,0,0|2,0,0]=3 3461 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,1,0,0,0,0|2,0,0]=3 3462 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,1,0,0,0,0|2,0,0]=3 3463 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,1,0,0,0,0|2,0,0]=3 3464 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,1,0,0,0,0|2,0,0]=3 3465 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,1,0,0,0,0|2,0,0]=3 3466 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,1,0,0,0,0|2,0,0]=3 3467 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,1,0,0,0,0|2,0,0]=3 3468 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,1,0,0,0,0|2,0,0]=3 3469 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,1,0,0,0,0|2,0,0]=3 3470 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,1,0,0,0,0|2,0,0]=3 3471 B12R1.28 CCCSCc1cccc(n1)Br 62a_100000210303_100009889011 [0,1,0,0,0,0|3,0,0]=4 3472 B12R1.28 CCCSCc1cccc(n1)Br 62a_100009889011_100000210303 [0,1,0,0,0,0|3,0,0]=4 3473 B12R1.28 CCCSCc1cccc(n1)C 62a_100000210303_100000757606 [0,1,0,0,0,0|3,0,0]=4 3474 B12R1.28 CCCSCc1cccc(n1)C 62a_100000757606_100000210303 [0,1,0,0,0,0|3,0,0]=4 3475 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000086093_100000210303 [0,1,0,0,0,0|3,0,0]=4 3476 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000210303_100000086093 [0,1,0,0,0,0|3,0,0]=4 3477 B12R1.28 CCCSCc1cccc(n1)F 62a_100000210303_100009819644 [0,1,0,0,0,0|3,0,0]=4 3478 B12R1.28 CCCSCc1cccc(n1)F 62a_100009819644_100000210303 [0,1,0,0,0,0|3,0,0]=4 3479 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100000210303_100010243470 [0,1,0,0,0,0|3,0,0]=4 3480 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100010254460_100000210303 [0,1,0,0,0,0|3,0,0]=4 3481 B12R1.28 CCCSCc1ccnc(c1)C 62a_100000210303_200020672517 [0,1,0,0,0,0|3,0,0]=4 3482 B12R1.28 CCCSCc1ccnc(c1)C 62a_200020672517_100000210303 [0,1,0,0,0,0|3,0,0]=4 3483 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000210303_100000764220 [0,1,0,0,0,0|3,0,0]=4 3484 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000764220_100000210303 [0,1,0,0,0,0|3,0,0]=4 3485 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000210303_100000738771 [0,1,0,0,0,0|3,0,0]=4 3486 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000738771_100000210303 [0,1,0,0,0,0|3,0,0]=4 3487 B12R1.28 CCCSCc1cncc(c1)C 62a_100000210303_100000716715 [0,1,0,0,0,0|3,0,0]=4 3488 B12R1.28 CCCSCc1cncc(c1)C 62a_100000716715_100000210303 [0,1,0,0,0,0|3,0,0]=4 3489 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100000210303_100016992070 [0,1,0,0,0,0|3,0,0]=4 3490 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100016992070_100000210303 [0,1,0,0,0,0|3,0,0]=4 3491 B12R1.28 CCCSCc1cncc(c1)F 62a_100000210303_100000725299 [0,1,0,0,0,0|3,0,0]=4 3492 B12R1.28 CCCSCc1cncc(c1)F 62a_100000725299_100000210303 [0,1,0,0,0,0|3,0,0]=4 3493 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,1,0,0,0,0|2,0,0]=3 3494 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,1,0,0,0,0|2,0,0]=3 3495 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,1,0,0,0,0|2,0,0]=3 3496 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,1,0,0,0,0|2,0,0]=3 3497 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,1,0,0,0,0|2,0,0]=3 3498 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,1,0,0,0,0|2,0,0]=3 3499 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,1,0,0,0,0|2,0,0]=3 3500 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,1,0,0,0,0|2,0,0]=3 3501 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,1,0,0,0,0|2,0,0]=3 3502 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,1,0,0,0,0|2,0,0]=3 3503 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,1,0,0,0,0|2,0,0]=3 3504 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,1,0,0,0,0|2,0,0]=3 3505 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,1,0,0,0,0|2,0,0]=3 3506 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,1,0,0,0,0|2,0,0]=3 3507 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [0,1,0,0,0,0|3,0,0]=4 3508 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [0,1,0,0,0,0|3,0,0]=4 3509 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,1,0,0,0,0|2,0,0]=3 3510 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,1,0,0,0,0|2,0,0]=3 3511 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,1,0,0,0,0|2,0,0]=3 3512 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,1,0,0,0,0|2,0,0]=3 3513 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,1,0,0,0,0|2,0,0]=3 3514 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,1,0,0,0,0|2,0,0]=3 3515 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,1,0,0,0,0|2,0,0]=3 3516 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,1,0,0,0,0|2,0,0]=3 3517 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,1,0,0,0,0|2,0,0]=3 3518 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,1,0,0,0,0|2,0,0]=3 3519 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,1,0,0,0,0|2,0,0]=3 3520 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,1,0,0,0,0|2,0,0]=3 3521 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,1,0,0,0,0|2,0,0]=3 3522 B12R1.28 CCOCCc1cccc(n1)Br 34a_100010221043_100000210202 [0,1,0,0,0,0|3,0,0]=4 3523 B12R1.28 CCOCCc1cccc(n1)Br 7a_100010221043_100000210202 [0,1,0,0,0,0|3,0,0]=4 3524 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000691529_100000739092 [0,1,0,0,0,0|3,0,0]=4 3525 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000739092_100000691529 [0,1,0,0,0,0|3,0,0]=4 3526 B12R1.28 CCOCSc1cccc(c1)C 62a_100000739092_100011215228 [0,1,0,0,0,0|3,0,0]=4 3527 B12R1.28 CCOCSc1cccc(c1)C 62a_100011215228_100000739092 [0,1,0,0,0,0|3,0,0]=4 3528 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000699651_100000739092 [0,1,0,0,0,0|3,0,0]=4 3529 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000739092_100000699651 [0,1,0,0,0,0|3,0,0]=4 3530 B12R1.28 CCOCSc1cccc(c1)F 62a_100000685547_100000739092 [0,1,0,0,0,0|3,0,0]=4 3531 B12R1.28 CCOCSc1cccc(c1)F 62a_100000739092_100000685547 [0,1,0,0,0,0|3,0,0]=4 3532 B12R1.28 CCOCSc1cccc(c1)N 62a_100000210019_100000739092 [0,1,0,0,0,0|3,0,0]=4 3533 B12R1.28 CCOCSc1cccc(c1)N 62a_100000739092_100000210019 [0,1,0,0,0,0|3,0,0]=4 3534 B12R1.28 CCOCSc1cccc(c1)O 62a_100000739092_100000211634 [0,1,0,0,0,0|3,0,0]=4 3535 B12R1.28 CCOCSc1cccc(c1)[S] 62a_100000739092_114929384022 [0,1,0,0,0,0|3,0,0]=4 3536 B12R1.28 CCOCSc1cccc(c1)[S] 62a_114929384022_100000739092 [0,1,0,0,0,0|3,0,0]=4 3537 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,1,0,0,0,0|2,0,0]=3 3538 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,1,0,0,0,0|2,0,0]=3 3539 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,1,0,0,0,0|2,0,0]=3 3540 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,1,0,0,0,0|2,0,0]=3 3541 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,1,0,0,0,0|2,0,0]=3 3542 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,1,0,0,0,0|2,0,0]=3 3543 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,1,0,0,0,0|2,0,0]=3 3544 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,1,0,0,0,0|2,0,0]=3 3545 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,1,0,0,0,0|2,0,0]=3 3546 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,1,0,0,0,0|2,0,0]=3 3547 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,1,0,0,0,0|2,0,0]=3 3548 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,1,0,0,0,0|2,0,0]=3 3549 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,1,0,0,0,0|2,0,0]=3 3550 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,1,0,0,0,0|2,0,0]=3 3551 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,1,0,0,0,0|2,0,0]=3 3552 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,1,0,0,0,0|2,0,0]=3 3553 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,1,0,0,0,0|2,0,0]=3 3554 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,1,0,0,0,0|2,0,0]=3 3555 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,1,0,0,0,0|2,0,0]=3 3556 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,1,0,0,0,0|2,0,0]=3 3557 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,1,0,0,0,0|2,0,0]=3 3558 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,1,0,0,0,0|2,0,0]=3 3559 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,1,0,0,0,0|3,0,0]=4 3560 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,1,0,0,0,0|3,0,0]=4 3561 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,1,0,0,0,0|3,0,0]=4 3562 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,1,0,0,0,0|3,0,0]=4 3563 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,1,0,0,0,0|3,0,0]=4 3564 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,1,0,0,0,0|3,0,0]=4 3565 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,1,0,0,0,0|3,0,0]=4 3566 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,1,0,0,0,0|3,0,0]=4 3567 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,1,0,0,0,0|3,0,0]=4 3568 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,1,0,0,0,0|3,0,0]=4 3569 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,1,0,0,0,0|3,0,0]=4 3570 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,1,0,0,0,0|3,0,0]=4 3571 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,1,0,0,0,0|3,0,0]=4 3572 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,1,0,0,0,0|3,0,0]=4 3573 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,1,0,0,0,0|3,0,0]=4 3574 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,1,0,0,0,0|3,0,0]=4 3575 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,1,0,0,0,0|3,0,0]=4 3576 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,1,0,0,0,0|3,0,0]=4 3577 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,1,0,0,0,0|2,0,0]=3 3578 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,1,0,0,0,0|2,0,0]=3 3579 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,1,0,0,0,0|2,0,0]=3 3580 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,1,0,0,0,0|2,0,0]=3 3581 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,1,0,0,0,0|2,0,0]=3 3582 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,1,0,0,0,0|2,0,0]=3 3583 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,1,0,0,0,0|2,0,0]=3 3584 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,1,0,0,0,0|2,0,0]=3 3585 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [0,1,0,0,0,0|3,0,0]=4 3586 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [0,1,0,0,0,0|3,0,0]=4 3587 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [0,1,0,0,0,0|3,0,0]=4 3588 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [0,1,0,0,0,0|3,0,0]=4 3589 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [0,1,0,0,0,0|3,0,0]=4 3590 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [0,1,0,0,0,0|3,0,0]=4 3591 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [0,1,0,0,0,0|3,0,0]=4 3592 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [0,1,0,0,0,0|3,0,0]=4 3593 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,1,0,0,0,0|3,0,0]=4 3594 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,1,0,0,0,0|3,0,0]=4 3595 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,1,0,0,0,0|3,0,0]=4 3596 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,1,0,0,0,0|3,0,0]=4 3597 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,1,0,0,0,0|3,0,0]=4 3598 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,1,0,0,0,0|3,0,0]=4 3599 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,1,0,0,0,0|3,0,0]=4 3600 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,1,0,0,0,0|3,0,0]=4 3601 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,1,0,0,0,0|3,0,0]=4 3602 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,1,0,0,0,0|3,0,0]=4 3603 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,1,0,0,0,0|3,0,0]=4 3604 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,1,0,0,0,0|3,0,0]=4 3605 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,1,0,0,0,0|3,0,0]=4 3606 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,1,0,0,0,0|3,0,0]=4 3607 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,1,0,0,0,0|3,0,0]=4 3608 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,1,0,0,0,0|3,0,0]=4 3609 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,1,0,0,0,0|3,0,0]=4 3610 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,1,0,0,0,0|3,0,0]=4 3611 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,1,0,0,0,0|3,0,0]=4 3612 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,1,0,0,0,0|3,0,0]=4 3613 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,1,0,0,0,0|3,0,0]=4 3614 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,1,0,0,0,0|3,0,0]=4 3615 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [0,1,0,0,0,0|3,0,0]=4 3616 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [0,1,0,0,0,0|3,0,0]=4 3617 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [0,1,0,0,0,0|3,0,0]=4 3618 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [0,1,0,0,0,0|3,0,0]=4 3619 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [0,1,0,0,0,0|3,0,0]=4 3620 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [0,1,0,0,0,0|3,0,0]=4 3621 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [0,1,0,0,0,0|3,0,0]=4 3622 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [0,1,0,0,0,0|3,0,0]=4 3623 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [0,1,0,0,0,0|3,0,0]=4 3624 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [0,1,0,0,0,0|3,0,0]=4 3625 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [0,1,0,0,0,0|3,0,0]=4 3626 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [0,1,0,0,0,0|3,0,0]=4 3627 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [0,1,0,0,0,0|3,0,0]=4 3628 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [0,1,0,0,0,0|3,0,0]=4 3629 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [0,1,0,0,0,0|3,0,0]=4 3630 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [0,1,0,0,0,0|3,0,0]=4 3631 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [0,1,0,0,0,0|3,0,0]=4 3632 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [0,1,0,0,0,0|3,0,0]=4 3633 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [0,1,0,0,0,0|3,0,0]=4 3634 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [0,1,0,0,0,0|3,0,0]=4 3635 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [0,1,0,0,0,0|3,0,0]=4 3636 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,1,0,0,0,0|3,0,0]=4 3637 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,1,0,0,0,0|3,0,0]=4 3638 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,1,0,0,0,0|3,0,0]=4 3639 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,1,0,0,0,0|3,0,0]=4 3640 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,1,0,0,0,0|3,0,0]=4 3641 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,1,0,0,0,0|3,0,0]=4 3642 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [0,1,0,0,0,0|3,0,0]=4 3643 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [0,1,0,0,0,0|3,0,0]=4 3644 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [0,1,0,0,0,0|3,0,0]=4 3645 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [0,1,0,0,0,0|3,0,0]=4 3646 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [0,1,0,0,0,0|3,0,0]=4 3647 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [0,1,0,0,0,0|3,0,0]=4 3648 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [0,1,0,0,0,0|3,0,0]=4 3649 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [0,1,0,0,0,0|3,0,0]=4 3650 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [0,1,0,0,0,0|3,0,0]=4 3651 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [0,1,0,0,0,0|3,0,0]=4 3652 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [0,1,0,0,0,0|3,0,0]=4 3653 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [0,1,0,0,0,0|3,0,0]=4 3654 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,1,0,0,0,0|2,0,0]=3 3655 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,1,0,0,0,0|2,0,0]=3 3656 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,1,0,0,0,0|2,0,0]=3 3657 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,1,0,0,0,0|2,0,0]=3 3658 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [0,1,0,0,0,0|3,0,0]=4 3659 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [0,1,0,0,0,0|3,0,0]=4 3660 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [0,1,0,0,0,0|3,0,0]=4 3661 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [0,1,0,0,0,0|3,0,0]=4 3662 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [0,1,0,0,0,0|3,0,0]=4 3663 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [0,1,0,0,0,0|3,0,0]=4 3664 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [0,1,0,0,0,0|3,0,0]=4 3665 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,1,0,0,0,0|3,0,0]=4 3666 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,1,0,0,0,0|3,0,0]=4 3667 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,1,0,0,0,0|3,0,0]=4 3668 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,1,0,0,0,0|3,0,0]=4 3669 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,1,0,0,0,0|3,0,0]=4 3670 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,1,0,0,0,0|3,0,0]=4 3671 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,1,0,0,0,0|3,0,0]=4 3672 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,1,0,0,0,0|3,0,0]=4 3673 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,1,0,0,0,0|3,0,0]=4 3674 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,1,0,0,0,0|3,0,0]=4 3675 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,1,0,0,0,0|3,0,0]=4 3676 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,1,0,0,0,0|3,0,0]=4 3677 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,1,0,0,0,0|3,0,0]=4 3678 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,1,0,0,0,0|3,0,0]=4 3679 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,1,0,0,0,0|3,0,0]=4 3680 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,1,0,0,0,0|3,0,0]=4 3681 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,1,0,0,0,0|3,0,0]=4 3682 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [0,1,0,0,0,0|3,0,0]=4 3683 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [0,1,0,0,0,0|3,0,0]=4 3684 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [0,1,0,0,0,0|3,0,0]=4 3685 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [0,1,0,0,0,0|3,0,0]=4 3686 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [0,1,0,0,0,0|3,0,0]=4 3687 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [0,1,0,0,0,0|3,0,0]=4 3688 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [0,1,0,0,0,0|3,0,0]=4 3689 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [0,1,0,0,0,0|3,0,0]=4 3690 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [0,1,0,0,0,0|3,0,0]=4 3691 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [0,1,0,0,0,0|3,0,0]=4 3692 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [0,1,0,0,0,0|3,0,0]=4 3693 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [0,1,0,0,0,0|3,0,0]=4 3694 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [0,1,0,0,0,0|3,0,0]=4 3695 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [0,1,0,0,0,0|3,0,0]=4 3696 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [0,1,0,0,0,0|3,0,0]=4 3697 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [0,1,0,0,0,0|3,0,0]=4 3698 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [0,1,0,0,0,0|3,0,0]=4 3699 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [0,1,0,0,0,0|3,0,0]=4 3700 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [0,1,0,0,0,0|3,0,0]=4 3701 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [0,1,0,0,0,0|3,0,0]=4 3702 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [0,1,0,0,0,0|3,0,0]=4 3703 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [0,1,0,0,0,0|3,0,0]=4 3704 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [0,1,0,0,0,0|3,0,0]=4 3705 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [0,1,0,0,0,0|3,0,0]=4 3706 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [0,1,0,0,0,0|3,0,0]=4 3707 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,1,0,0,0,0|3,0,0]=4 3708 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,1,0,0,0,0|3,0,0]=4 3709 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,1,0,0,0,0|3,0,0]=4 3710 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,1,0,0,0,0|3,0,0]=4 3711 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,1,0,0,0,0|3,0,0]=4 3712 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,1,0,0,0,0|3,0,0]=4 3713 B12R1.28 CSCSCc1cccc(c1)Br 62a_100000211773_100011218213 [0,1,0,0,0,0|3,0,0]=4 3714 B12R1.28 CSCSCc1cccc(c1)Br 62a_100011218213_100000211773 [0,1,0,0,0,0|3,0,0]=4 3715 B12R1.28 CSCSCc1cccc(c1)C 62a_100000211840_100011218213 [0,1,0,0,0,0|3,0,0]=4 3716 B12R1.28 CSCSCc1cccc(c1)C 62a_100011218213_100000211840 [0,1,0,0,0,0|3,0,0]=4 3717 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100000187163_100011218213 [0,1,0,0,0,0|3,0,0]=4 3718 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100011218213_100000187163 [0,1,0,0,0,0|3,0,0]=4 3719 B12R1.28 CSCSCc1cccc(c1)F 62a_100000230114_100011218213 [0,1,0,0,0,0|3,0,0]=4 3720 B12R1.28 CSCSCc1cccc(c1)F 62a_100011218213_100000230114 [0,1,0,0,0,0|3,0,0]=4 3721 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218213_100011218688 [0,1,0,0,0,0|3,0,0]=4 3722 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218688_100011218213 [0,1,0,0,0,0|3,0,0]=4 3723 B12R1.28 CSCSCc1cccc(c1)O 62a_100011218213_100011660834 [0,1,0,0,0,0|3,0,0]=4 3724 B12R1.28 CSCSCc1cccc(c1)O 62a_100011660834_100011218213 [0,1,0,0,0,0|3,0,0]=4 3725 B12R1.28 C[n+]1cccc(c1)SCCCF 62a_100009996589_100011934791 [0,1,0,0,0,0|3,0,0]=4 3726 B12R1.28 C[n+]1cccc(c1)SCCCF 62a_100011934791_100009996589 [0,1,0,0,0,0|3,0,0]=4 3727 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100009996589_100011215043 [0,1,0,0,0,0|3,0,0]=4 3728 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100011215043_100009996589 [0,1,0,0,0,0|3,0,0]=4 3729 B12R1.28 Cc1cc(ccn1)CNCCF 34a_100000724931_200020672517 [0,1,0,0,0,0|3,0,0]=4 3730 B12R1.28 Cc1cc(ccn1)CNCCF 34a_100011934566_100011217306 [0,1,0,0,0,0|3,0,0]=4 3731 B12R1.28 Cc1cc(ccn1)CNCCO 207a_100000210304_100011361630 [0,1,0,0,0,0|3,0,0]=4 3732 B12R1.28 Cc1cc(ccn1)CNCCO 2230a_100016997473_200020672517 [0,1,0,0,0,0|3,0,0]=4 3733 B12R1.28 Cc1cc(ccn1)CNCCO 270004a_100000210304_100011361630 [0,1,0,0,0,0|3,0,0]=4 3734 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100011934566_100000211926 [0,1,0,0,0,0|3,0,0]=4 3735 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100016990907_200020672517 [0,1,0,0,0,0|3,0,0]=4 3736 B12R1.28 Cc1cc(ccn1)COCCBr 34a_100000211926_200020672517 [0,1,0,0,0,0|3,0,0]=4 3737 B12R1.28 Cc1cc(ccn1)COCCF 34a_100011998630_100011217306 [0,1,0,0,0,0|3,0,0]=4 3738 B12R1.28 Cc1cc(ccn1)COCCN 34a_100000210304_200020672517 [0,1,0,0,0,0|2,0,0]=3 3739 B12R1.28 Cc1cc(ccn1)COCCO 34a_100011998630_100000211926 [0,1,0,0,0,0|3,0,0]=4 3740 B12R1.28 Cc1cc(ccn1)CSCCF 62a_100011217306_200020672517 [0,1,0,0,0,0|3,0,0]=4 3741 B12R1.28 Cc1cc(ccn1)CSCCF 62a_200020672517_100011217306 [0,1,0,0,0,0|3,0,0]=4 3742 B12R1.28 Cc1cc(ccn1)CSCCO 62a_100000211926_200020672517 [0,1,0,0,0,0|3,0,0]=4 3743 B12R1.28 Cc1cc(ccn1)CSCCO 62a_200020672517_100000211926 [0,1,0,0,0,0|3,0,0]=4 3744 B12R1.28 Cc1cc(ccn1)NCCCF 27a_100015189416_100000758586 [0,1,0,0,0,0|3,0,0]=4 3745 B12R1.28 Cc1cc(ccn1)NCCCO 27a_100000182051_100000758586 [0,1,0,0,0,0|3,0,0]=4 3746 B12R1.28 Cc1cc(ccn1)OCCCF 34a_100000688365_100011934791 [0,1,0,0,0,0|3,0,0]=4 3747 B12R1.28 Cc1cc(ccn1)OCCCO 34a_100000688365_100000230001 [0,1,0,0,0,0|3,0,0]=4 3748 B12R1.28 Cc1cc(ccn1)SCCCF 62a_100000758586_100011934791 [0,1,0,0,0,0|3,0,0]=4 3749 B12R1.28 Cc1cc(ccn1)SCCCF 62a_100011934791_100000758586 [0,1,0,0,0,0|3,0,0]=4 3750 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100000758586_100011215043 [0,1,0,0,0,0|3,0,0]=4 3751 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100011215043_100000758586 [0,1,0,0,0,0|3,0,0]=4 3752 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,1,0,0,0,0|2,0,0]=3 3753 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,1,0,0,0,0|2,0,0]=3 3754 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [0,1,0,0,0,0|2,0,0]=3 3755 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [0,1,0,0,0,0|2,0,0]=3 3756 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [0,1,0,0,0,0|2,0,0]=3 3757 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [0,1,0,0,0,0|2,0,0]=3 3758 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [0,1,0,0,0,0|2,0,0]=3 3759 B12R1.28 Cc1cccc(c1)CNCC#N 2230a_100000185548_100011215382 [0,1,0,0,0,0|1,0,2]=4 3760 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [0,1,0,0,0,0|2,0,1]=4 3761 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [0,1,0,0,0,0|2,0,1]=4 3762 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [0,1,0,0,0,0|2,0,0]=3 3763 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [0,1,0,0,0,0|2,0,0]=3 3764 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [0,1,0,0,0,0|2,0,0]=3 3765 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,1,0,0,0,0|2,0,0]=3 3766 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,1,0,0,0,0|2,0,0]=3 3767 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,1,0,0,0,0|2,0,0]=3 3768 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,1,0,0,0,0|2,0,0]=3 3769 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,1,0,0,0,0|2,0,0]=3 3770 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,1,0,0,0,0|2,0,0]=3 3771 B12R1.28 Cc1cccc(c1)COCC#N 7a_100011217746_100011215382 [0,1,0,0,0,0|1,0,2]=4 3772 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,1,0,0,0,0|2,0,1]=4 3773 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,1,0,0,0,0|2,0,1]=4 3774 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [0,1,0,0,0,0|2,0,0]=3 3775 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [0,1,0,0,0,0|2,0,0]=3 3776 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [0,1,0,0,0,0|2,0,0]=3 3777 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,1,0,0,0,0|1,0,0]=2 3778 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,1,0,0,0,0|2,0,0]=3 3779 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,1,0,0,0,0|2,0,0]=3 3780 B12R1.28 Cc1cccc(c1)CSCC#N 62a_100000211840_100011215382 [0,1,0,0,0,0|1,0,2]=4 3781 B12R1.28 Cc1cccc(c1)CSCC#N 62a_100011215382_100000211840 [0,1,0,0,0,0|1,0,2]=4 3782 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [0,1,0,0,0,0|2,0,1]=4 3783 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [0,1,0,0,0,0|2,0,1]=4 3784 B12R1.28 Cc1cccc(c1)CSCCF 62a_100000211840_100011217306 [0,1,0,0,0,0|2,0,0]=3 3785 B12R1.28 Cc1cccc(c1)CSCCF 62a_100011217306_100000211840 [0,1,0,0,0,0|2,0,0]=3 3786 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [0,1,0,0,0,0|2,0,0]=3 3787 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [0,1,0,0,0,0|2,0,0]=3 3788 B12R1.28 Cc1cccc(c1)NCCC#N 2230a_100000188690_100011215226 [0,1,0,0,0,0|1,0,2]=4 3789 B12R1.28 Cc1cccc(c1)NCCCF 2230a_100000188690_100011934791 [0,1,0,0,0,0|2,0,0]=3 3790 B12R1.28 Cc1cccc(c1)NCCCF 34a_100000188690_100011934791 [0,1,0,0,0,0|2,0,0]=3 3791 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [0,1,0,0,0,0|2,0,0]=3 3792 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [0,1,0,0,0,0|2,0,0]=3 3793 B12R1.28 Cc1cccc(c1)OCCC#N 7a_100000210337_100000184422 [0,1,0,0,0,0|1,0,2]=4 3794 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [0,1,0,0,0,0|2,0,0]=3 3795 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [0,1,0,0,0,0|2,0,0]=3 3796 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,1,0,0,0,0|2,0,0]=3 3797 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,1,0,0,0,0|2,0,0]=3 3798 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,1,0,0,0,0|3,0,0]=4 3799 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,1,0,0,0,0|3,0,0]=4 3800 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,1,0,0,0,0|3,0,0]=4 3801 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,1,0,0,0,0|3,0,0]=4 3802 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215226_100011215228 [0,1,0,0,0,0|1,0,2]=4 3803 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215228_100011215226 [0,1,0,0,0,0|1,0,2]=4 3804 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011215228_100011934791 [0,1,0,0,0,0|2,0,0]=3 3805 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011934791_100011215228 [0,1,0,0,0,0|2,0,0]=3 3806 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [0,1,0,0,0,0|2,0,0]=3 3807 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [0,1,0,0,0,0|2,0,0]=3 3808 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [0,1,0,0,0,0|3,0,0]=4 3809 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [0,1,0,0,0,0|3,0,0]=4 3810 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [0,1,0,0,0,0|3,0,0]=4 3811 B12R1.28 Cc1cccc(n1)CCNCF 34a_100011824523_100015361967 [0,1,0,0,0,0|3,0,0]=4 3812 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000701342_100011217306 [0,1,0,0,0,0|3,0,0]=4 3813 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000724931_100000757606 [0,1,0,0,0,0|3,0,0]=4 3814 B12R1.28 Cc1cccc(n1)CNCCO 207a_100000210304_100011215050 [0,1,0,0,0,0|3,0,0]=4 3815 B12R1.28 Cc1cccc(n1)CNCCO 2230a_100016997473_100000757606 [0,1,0,0,0,0|3,0,0]=4 3816 B12R1.28 Cc1cccc(n1)CNCCO 270004a_100000210304_100011215050 [0,1,0,0,0,0|3,0,0]=4 3817 B12R1.28 Cc1cccc(n1)CNCCO 34a_100000701342_100000211926 [0,1,0,0,0,0|3,0,0]=4 3818 B12R1.28 Cc1cccc(n1)CNCCO 34a_100016990907_100000757606 [0,1,0,0,0,0|3,0,0]=4 3819 B12R1.28 Cc1cccc(n1)COCCBr 34a_100000211926_100000757606 [0,1,0,0,0,0|3,0,0]=4 3820 B12R1.28 Cc1cccc(n1)COCCF 34a_100000690600_100011217306 [0,1,0,0,0,0|3,0,0]=4 3821 B12R1.28 Cc1cccc(n1)COCCN 34a_100000210304_100000757606 [0,1,0,0,0,0|2,0,0]=3 3822 B12R1.28 Cc1cccc(n1)COCCO 34a_100000690600_100000211926 [0,1,0,0,0,0|3,0,0]=4 3823 B12R1.28 Cc1cccc(n1)CSCCF 62a_100000757606_100011217306 [0,1,0,0,0,0|3,0,0]=4 3824 B12R1.28 Cc1cccc(n1)CSCCF 62a_100011217306_100000757606 [0,1,0,0,0,0|3,0,0]=4 3825 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000211926_100000757606 [0,1,0,0,0,0|3,0,0]=4 3826 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000757606_100000211926 [0,1,0,0,0,0|3,0,0]=4 3827 B12R1.28 Cc1cccc(n1)SCCCF 62a_100000742759_100011934791 [0,1,0,0,0,0|3,0,0]=4 3828 B12R1.28 Cc1cccc(n1)SCCCF 62a_100011934791_100000742759 [0,1,0,0,0,0|3,0,0]=4 3829 B12R1.28 Cc1cccc(n1)SCCCO 62a_100000742759_100011215043 [0,1,0,0,0,0|3,0,0]=4 3830 B12R1.28 Cc1cccc(n1)SCCCO 62a_100011215043_100000742759 [0,1,0,0,0,0|3,0,0]=4 3831 B12R1.28 Cc1ccnc(c1)CNCCF 34a_100000724931_100000718516 [0,1,0,0,0,0|3,0,0]=4 3832 B12R1.28 Cc1ccnc(c1)CNCCO 207a_100000210304_100011361488 [0,1,0,0,0,0|3,0,0]=4 3833 B12R1.28 Cc1ccnc(c1)CNCCO 2230a_100016997473_100000718516 [0,1,0,0,0,0|3,0,0]=4 3834 B12R1.28 Cc1ccnc(c1)CNCCO 270004a_100000210304_100011361488 [0,1,0,0,0,0|3,0,0]=4 3835 B12R1.28 Cc1ccnc(c1)CNCCO 34a_100016990907_100000718516 [0,1,0,0,0,0|3,0,0]=4 3836 B12R1.28 Cc1ccnc(c1)COCCBr 34a_100000211926_100000718516 [0,1,0,0,0,0|3,0,0]=4 3837 B12R1.28 Cc1ccnc(c1)COCCF 34a_100011998357_100011217306 [0,1,0,0,0,0|3,0,0]=4 3838 B12R1.28 Cc1ccnc(c1)COCCN 34a_100000210304_100000718516 [0,1,0,0,0,0|2,0,0]=3 3839 B12R1.28 Cc1ccnc(c1)COCCO 34a_100011998357_100000211926 [0,1,0,0,0,0|3,0,0]=4 3840 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100000718516_100011217306 [0,1,0,0,0,0|3,0,0]=4 3841 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100011217306_100000718516 [0,1,0,0,0,0|3,0,0]=4 3842 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000211926_100000718516 [0,1,0,0,0,0|3,0,0]=4 3843 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000718516_100000211926 [0,1,0,0,0,0|3,0,0]=4 3844 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100000750283_100011934791 [0,1,0,0,0,0|3,0,0]=4 3845 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100011934791_100000750283 [0,1,0,0,0,0|3,0,0]=4 3846 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100000750283_100011215043 [0,1,0,0,0,0|3,0,0]=4 3847 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100011215043_100000750283 [0,1,0,0,0,0|3,0,0]=4 3848 B12R1.28 Cc1cncc(c1)CNCCF 2230a_100000692839_100011217306 [0,1,0,0,0,0|3,0,0]=4 3849 B12R1.28 Cc1cncc(c1)CNCCF 34a_100000692839_100011217306 [0,1,0,0,0,0|3,0,0]=4 3850 B12R1.28 Cc1cncc(c1)CNCCF 34a_100000724931_100000716715 [0,1,0,0,0,0|3,0,0]=4 3851 B12R1.28 Cc1cncc(c1)CNCCO 207a_100000210304_100011998712 [0,1,0,0,0,0|3,0,0]=4 3852 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100000692839_100000211926 [0,1,0,0,0,0|3,0,0]=4 3853 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100016997473_100000716715 [0,1,0,0,0,0|3,0,0]=4 3854 B12R1.28 Cc1cncc(c1)CNCCO 270004a_100000210304_100011998712 [0,1,0,0,0,0|3,0,0]=4 3855 B12R1.28 Cc1cncc(c1)CNCCO 34a_100000692839_100000211926 [0,1,0,0,0,0|3,0,0]=4 3856 B12R1.28 Cc1cncc(c1)CNCCO 34a_100016990907_100000716715 [0,1,0,0,0,0|3,0,0]=4 3857 B12R1.28 Cc1cncc(c1)COCCBr 34a_100000211926_100000716715 [0,1,0,0,0,0|3,0,0]=4 3858 B12R1.28 Cc1cncc(c1)COCCF 34a_100011998709_100011217306 [0,1,0,0,0,0|3,0,0]=4 3859 B12R1.28 Cc1cncc(c1)COCCF 7a_100011998709_100011217306 [0,1,0,0,0,0|3,0,0]=4 3860 B12R1.28 Cc1cncc(c1)COCCN 34a_100000210304_100000716715 [0,1,0,0,0,0|2,0,0]=3 3861 B12R1.28 Cc1cncc(c1)COCCO 34a_100011998709_100000211926 [0,1,0,0,0,0|3,0,0]=4 3862 B12R1.28 Cc1cncc(c1)COCCO 7a_100011998709_100000211926 [0,1,0,0,0,0|3,0,0]=4 3863 B12R1.28 Cc1cncc(c1)CSCCF 62a_100000716715_100011217306 [0,1,0,0,0,0|3,0,0]=4 3864 B12R1.28 Cc1cncc(c1)CSCCF 62a_100011217306_100000716715 [0,1,0,0,0,0|3,0,0]=4 3865 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000211926_100000716715 [0,1,0,0,0,0|3,0,0]=4 3866 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000716715_100000211926 [0,1,0,0,0,0|3,0,0]=4 3867 B12R1.28 Cc1cncc(c1)OCCCF 34a_100011830280_100011934791 [0,1,0,0,0,0|3,0,0]=4 3868 B12R1.28 Cc1cncc(c1)OCCCF 7a_100011830280_100011934791 [0,1,0,0,0,0|3,0,0]=4 3869 B12R1.28 Cc1cncc(c1)OCCCO 34a_100011830280_100000230001 [0,1,0,0,0,0|3,0,0]=4 3870 B12R1.28 Cc1cncc(c1)OCCCO 7a_100011830280_100011215043 [0,1,0,0,0,0|3,0,0]=4 3871 B12R1.28 Cc1cncc(c1)SCCCF 62a_100000760492_100011934791 [0,1,0,0,0,0|3,0,0]=4 3872 B12R1.28 Cc1cncc(c1)SCCCF 62a_100011934791_100000760492 [0,1,0,0,0,0|3,0,0]=4 3873 B12R1.28 Cc1cncc(c1)SCCCO 62a_100000760492_100011215043 [0,1,0,0,0,0|3,0,0]=4 3874 B12R1.28 Cc1cncc(c1)SCCCO 62a_100011215043_100000760492 [0,1,0,0,0,0|3,0,0]=4 3875 B12R1.28 Clc1cc(ccn1)COCCBr 34a_100000211926_100000764220 [0,1,0,0,0,0|3,0,0]=4 3876 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [0,1,0,0,0,0|2,0,0]=3 3877 B12R1.28 Clc1cccc(n1)COCCBr 34a_100000211926_100000086093 [0,1,0,0,0,0|3,0,0]=4 3878 B12R1.28 Clc1ccnc(c1)COCCBr 34a_100000211926_100016988179 [0,1,0,0,0,0|3,0,0]=4 3879 B12R1.28 Clc1cncc(c1)COCCBr 34a_100000211926_100016992070 [0,1,0,0,0,0|3,0,0]=4 3880 B12R1.28 FCCCNc1cc(ccn1)F 27a_100015189416_100000764206 [0,1,0,0,0,0|3,0,0]=4 3881 B12R1.28 FCCCNc1cccc(c1)Br 34a_100000210019_100011934791 [0,1,0,0,0,0|2,0,0]=3 3882 B12R1.28 FCCCNc1cccc(c1)Cl 34a_100000185859_100011934791 [0,1,0,0,0,0|2,0,0]=3 3883 B12R1.28 FCCCNc1cccc(c1)F 34a_100000210047_100011934791 [0,1,0,0,0,0|2,0,0]=3 3884 B12R1.28 FCCCNc1cccc(c1)I 34a_100000211102_100011934791 [0,1,0,0,0,0|2,0,0]=3 3885 B12R1.28 FCCCNc1cccc(n1)F 27a_100015189416_100009815982 [0,1,0,0,0,0|3,0,0]=4 3886 B12R1.28 FCCCNc1ccnc(c1)F 27a_100015189416_100009816116 [0,1,0,0,0,0|3,0,0]=4 3887 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [0,1,0,0,0,0|2,0,0]=3 3888 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [0,1,0,0,0,0|2,0,0]=3 3889 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [0,1,0,0,0,0|2,0,0]=3 3890 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [0,1,0,0,0,0|2,0,0]=3 3891 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [0,1,0,0,0,0|2,0,0]=3 3892 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [0,1,0,0,0,0|2,0,0]=3 3893 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [0,1,0,0,0,0|2,0,0]=3 3894 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [0,1,0,0,0,0|2,0,0]=3 3895 B12R1.28 FCCCOc1cccc(n1)F 34a_100011432558_100011934791 [0,1,0,0,0,0|3,0,0]=4 3896 B12R1.28 FCCCOc1ccnc(c1)Cl 34a_100000762945_100011934791 [0,1,0,0,0,0|3,0,0]=4 3897 B12R1.28 FCCCOc1ccnc(c1)F 34a_100000732698_100011934791 [0,1,0,0,0,0|3,0,0]=4 3898 B12R1.28 FCCCOc1cncc(c1)Br 34a_100000754920_100011934791 [0,1,0,0,0,0|3,0,0]=4 3899 B12R1.28 FCCCOc1cncc(c1)Br 7a_100000754920_100011934791 [0,1,0,0,0,0|3,0,0]=4 3900 B12R1.28 FCCCOc1cncc(c1)Cl 7a_100000032511_100011934791 [0,1,0,0,0,0|3,0,0]=4 3901 B12R1.28 FCCCOc1cncc(c1)F 34a_100011830296_100011934791 [0,1,0,0,0,0|3,0,0]=4 3902 B12R1.28 FCCCOc1cncc(c1)F 7a_100011830296_100011934791 [0,1,0,0,0,0|3,0,0]=4 3903 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100010167805_100011934791 [0,1,0,0,0,0|3,0,0]=4 3904 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100011934791_100010167805 [0,1,0,0,0,0|3,0,0]=4 3905 B12R1.28 FCCCSc1cc(ccn1)F 62a_100000764206_100011934791 [0,1,0,0,0,0|3,0,0]=4 3906 B12R1.28 FCCCSc1cc(ccn1)F 62a_100011934791_100000764206 [0,1,0,0,0,0|3,0,0]=4 3907 B12R1.28 FCCCSc1cccc(c1)Br 62a_100000691529_100011934791 [0,1,0,0,0,0|2,0,0]=3 3908 B12R1.28 FCCCSc1cccc(c1)Br 62a_100011934791_100000691529 [0,1,0,0,0,0|2,0,0]=3 3909 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100000699651_100011934791 [0,1,0,0,0,0|2,0,0]=3 3910 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100011934791_100000699651 [0,1,0,0,0,0|2,0,0]=3 3911 B12R1.28 FCCCSc1cccc(c1)F 62a_100000685547_100011934791 [0,1,0,0,0,0|2,0,0]=3 3912 B12R1.28 FCCCSc1cccc(c1)F 62a_100011934791_100000685547 [0,1,0,0,0,0|2,0,0]=3 3913 B12R1.28 FCCCSc1cccc(c1)[S] 62a_100011934791_114929384022 [0,1,0,0,0,0|2,0,0]=3 3914 B12R1.28 FCCCSc1cccc(c1)[S] 62a_114929384022_100011934791 [0,1,0,0,0,0|2,0,0]=3 3915 B12R1.28 FCCCSc1cccc(n1)Br 62a_100000684672_100011934791 [0,1,0,0,0,0|3,0,0]=4 3916 B12R1.28 FCCCSc1cccc(n1)Br 62a_100011934791_100000684672 [0,1,0,0,0,0|3,0,0]=4 3917 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100000051397_100011934791 [0,1,0,0,0,0|3,0,0]=4 3918 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100011934791_100000051397 [0,1,0,0,0,0|3,0,0]=4 3919 B12R1.28 FCCCSc1cccc(n1)F 62a_100009815982_100011934791 [0,1,0,0,0,0|3,0,0]=4 3920 B12R1.28 FCCCSc1cccc(n1)F 62a_100011934791_100009815982 [0,1,0,0,0,0|3,0,0]=4 3921 B12R1.28 FCCCSc1ccnc(c1)Br 62a_100009814637_100011934791 [0,1,0,0,0,0|3,0,0]=4 3922 B12R1.28 FCCCSc1ccnc(c1)Br 62a_100011934791_100009814637 [0,1,0,0,0,0|3,0,0]=4 3923 B12R1.28 FCCCSc1ccnc(c1)Cl 62a_100000035001_100011934791 [0,1,0,0,0,0|3,0,0]=4 3924 B12R1.28 FCCCSc1ccnc(c1)Cl 62a_100011934791_100000035001 [0,1,0,0,0,0|3,0,0]=4 3925 B12R1.28 FCCCSc1ccnc(c1)F 62a_100009816116_100011934791 [0,1,0,0,0,0|3,0,0]=4 3926 B12R1.28 FCCCSc1ccnc(c1)F 62a_100011934791_100009816116 [0,1,0,0,0,0|3,0,0]=4 3927 B12R1.28 FCCCSc1cncc(c1)Br 62a_100000728054_100011934791 [0,1,0,0,0,0|3,0,0]=4 3928 B12R1.28 FCCCSc1cncc(c1)Br 62a_100011934791_100000728054 [0,1,0,0,0,0|3,0,0]=4 3929 B12R1.28 FCCCSc1cncc(c1)Cl 62a_100000049639_100011934791 [0,1,0,0,0,0|3,0,0]=4 3930 B12R1.28 FCCCSc1cncc(c1)Cl 62a_100011934791_100000049639 [0,1,0,0,0,0|3,0,0]=4 3931 B12R1.28 FCCCSc1cncc(c1)F 62a_100000744099_100011934791 [0,1,0,0,0,0|3,0,0]=4 3932 B12R1.28 FCCCSc1cncc(c1)F 62a_100011934791_100000744099 [0,1,0,0,0,0|3,0,0]=4 3933 B12R1.28 FCCNCc1cc(ccn1)Br 34a_100000724931_100010173614 [0,1,0,0,0,0|3,0,0]=4 3934 B12R1.28 FCCNCc1cc(ccn1)Cl 34a_100000724931_100016988179 [0,1,0,0,0,0|3,0,0]=4 3935 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [0,1,0,0,0,0|2,0,0]=3 3936 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [0,1,0,0,0,0|2,0,0]=3 3937 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [0,1,0,0,0,0|2,0,0]=3 3938 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [0,1,0,0,0,0|2,0,0]=3 3939 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [0,1,0,0,0,0|2,0,0]=3 3940 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [0,1,0,0,0,0|2,0,0]=3 3941 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [0,1,0,0,0,0|2,0,0]=3 3942 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [0,1,0,0,0,0|2,0,0]=3 3943 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [0,1,0,0,0,0|2,0,0]=3 3944 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [0,1,0,0,0,0|2,0,0]=3 3945 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [0,1,0,0,0,0|2,0,0]=3 3946 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [0,1,0,0,0,0|2,0,0]=3 3947 B12R1.28 FCCNCc1cccc(n1)Br 2230a_100016987751_100011217306 [0,1,0,0,0,0|3,0,0]=4 3948 B12R1.28 FCCNCc1cccc(n1)Br 34a_100000724931_100009889011 [0,1,0,0,0,0|3,0,0]=4 3949 B12R1.28 FCCNCc1cccc(n1)Cl 2230a_100016990191_100011217306 [0,1,0,0,0,0|3,0,0]=4 3950 B12R1.28 FCCNCc1cccc(n1)Cl 34a_100000724931_100000086093 [0,1,0,0,0,0|3,0,0]=4 3951 B12R1.28 FCCNCc1cccc(n1)F 2230a_100015188798_100011217306 [0,1,0,0,0,0|3,0,0]=4 3952 B12R1.28 FCCNCc1cccc(n1)F 34a_100000724931_100009819644 [0,1,0,0,0,0|3,0,0]=4 3953 B12R1.28 FCCNCc1cccc(n1)F 34a_100015188798_100011217306 [0,1,0,0,0,0|3,0,0]=4 3954 B12R1.28 FCCNCc1ccnc(c1)Br 2230a_100025757509_100011217306 [0,1,0,0,0,0|3,0,0]=4 3955 B12R1.28 FCCNCc1ccnc(c1)Br 34a_100000724931_100010243470 [0,1,0,0,0,0|3,0,0]=4 3956 B12R1.28 FCCNCc1ccnc(c1)Br 34a_100025757509_100011217306 [0,1,0,0,0,0|3,0,0]=4 3957 B12R1.28 FCCNCc1ccnc(c1)Cl 2230a_100015205668_100011217306 [0,1,0,0,0,0|3,0,0]=4 3958 B12R1.28 FCCNCc1ccnc(c1)Cl 34a_100000724931_100000764220 [0,1,0,0,0,0|3,0,0]=4 3959 B12R1.28 FCCNCc1ccnc(c1)Cl 34a_100015205668_100011217306 [0,1,0,0,0,0|3,0,0]=4 3960 B12R1.28 FCCNCc1ccnc(c1)F 2230a_100015188774_100011217306 [0,1,0,0,0,0|3,0,0]=4 3961 B12R1.28 FCCNCc1ccnc(c1)F 34a_100015188774_100011217306 [0,1,0,0,0,0|3,0,0]=4 3962 B12R1.28 FCCNCc1cncc(c1)Br 34a_100000724931_100000738771 [0,1,0,0,0,0|3,0,0]=4 3963 B12R1.28 FCCNCc1cncc(c1)Cl 2230a_200020614424_100011217306 [0,1,0,0,0,0|3,0,0]=4 3964 B12R1.28 FCCNCc1cncc(c1)Cl 34a_100000724931_100016992070 [0,1,0,0,0,0|3,0,0]=4 3965 B12R1.28 FCCNCc1cncc(c1)F 2230a_100011962886_100011217306 [0,1,0,0,0,0|3,0,0]=4 3966 B12R1.28 FCCNCc1cncc(c1)F 34a_100000724931_100000725299 [0,1,0,0,0,0|3,0,0]=4 3967 B12R1.28 FCCNCc1cncc(c1)F 34a_100011962886_100011217306 [0,1,0,0,0,0|3,0,0]=4 3968 B12R1.28 FCCOCc1cc(ccn1)Cl 34a_100000748867_100011217306 [0,1,0,0,0,0|3,0,0]=4 3969 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [0,1,0,0,0,0|2,0,0]=3 3970 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [0,1,0,0,0,0|2,0,0]=3 3971 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [0,1,0,0,0,0|2,0,0]=3 3972 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [0,1,0,0,0,0|2,0,0]=3 3973 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [0,1,0,0,0,0|2,0,0]=3 3974 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [0,1,0,0,0,0|2,0,0]=3 3975 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [0,1,0,0,0,0|2,0,0]=3 3976 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [0,1,0,0,0,0|2,0,0]=3 3977 B12R1.28 FCCOCc1cccc(n1)Br 34a_100000694195_100011217306 [0,1,0,0,0,0|3,0,0]=4 3978 B12R1.28 FCCOCc1cccc(n1)Cl 34a_100011998359_100011217306 [0,1,0,0,0,0|3,0,0]=4 3979 B12R1.28 FCCOCc1cccc(n1)F 34a_100000086748_100011217306 [0,1,0,0,0,0|3,0,0]=4 3980 B12R1.28 FCCOCc1ccnc(c1)Br 34a_100009814636_100011217306 [0,1,0,0,0,0|3,0,0]=4 3981 B12R1.28 FCCOCc1ccnc(c1)Br 7a_100009814636_100011217306 [0,1,0,0,0,0|3,0,0]=4 3982 B12R1.28 FCCOCc1ccnc(c1)Cl 34a_100000748751_100011217306 [0,1,0,0,0,0|3,0,0]=4 3983 B12R1.28 FCCOCc1ccnc(c1)F 34a_100000082451_100011217306 [0,1,0,0,0,0|3,0,0]=4 3984 B12R1.28 FCCOCc1cncc(c1)Br 34a_100011259137_100011217306 [0,1,0,0,0,0|3,0,0]=4 3985 B12R1.28 FCCOCc1cncc(c1)Br 7a_100011259137_100011217306 [0,1,0,0,0,0|3,0,0]=4 3986 B12R1.28 FCCOCc1cncc(c1)Cl 34a_100000092867_100011217306 [0,1,0,0,0,0|3,0,0]=4 3987 B12R1.28 FCCOCc1cncc(c1)Cl 7a_100000092867_100011217306 [0,1,0,0,0,0|3,0,0]=4 3988 B12R1.28 FCCOCc1cncc(c1)F 34a_100011962875_100011217306 [0,1,0,0,0,0|3,0,0]=4 3989 B12R1.28 FCCOCc1cncc(c1)F 7a_100011962875_100011217306 [0,1,0,0,0,0|3,0,0]=4 3990 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100010173614_100011217306 [0,1,0,0,0,0|3,0,0]=4 3991 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100011217306_100010173614 [0,1,0,0,0,0|3,0,0]=4 3992 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100011217306_100016988179 [0,1,0,0,0,0|3,0,0]=4 3993 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100016988179_100011217306 [0,1,0,0,0,0|3,0,0]=4 3994 B12R1.28 FCCSCc1cccc(c1)Br 62a_100000211773_100011217306 [0,1,0,0,0,0|2,0,0]=3 3995 B12R1.28 FCCSCc1cccc(c1)Br 62a_100011217306_100000211773 [0,1,0,0,0,0|2,0,0]=3 3996 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100000187163_100011217306 [0,1,0,0,0,0|2,0,0]=3 3997 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100011217306_100000187163 [0,1,0,0,0,0|2,0,0]=3 3998 B12R1.28 FCCSCc1cccc(c1)F 62a_100000230114_100011217306 [0,1,0,0,0,0|2,0,0]=3 3999 B12R1.28 FCCSCc1cccc(c1)F 62a_100011217306_100000230114 [0,1,0,0,0,0|2,0,0]=3 4000 B12R1.28 FCCSCc1cccc(c1)I 62a_100011217306_100011218688 [0,1,0,0,0,0|2,0,0]=3 4001 B12R1.28 FCCSCc1cccc(c1)I 62a_100011218688_100011217306 [0,1,0,0,0,0|2,0,0]=3 4002 B12R1.28 FCCSCc1cccc(n1)Br 62a_100009889011_100011217306 [0,1,0,0,0,0|3,0,0]=4 4003 B12R1.28 FCCSCc1cccc(n1)Br 62a_100011217306_100009889011 [0,1,0,0,0,0|3,0,0]=4 4004 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100000086093_100011217306 [0,1,0,0,0,0|3,0,0]=4 4005 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100011217306_100000086093 [0,1,0,0,0,0|3,0,0]=4 4006 B12R1.28 FCCSCc1cccc(n1)F 62a_100009819644_100011217306 [0,1,0,0,0,0|3,0,0]=4 4007 B12R1.28 FCCSCc1cccc(n1)F 62a_100011217306_100009819644 [0,1,0,0,0,0|3,0,0]=4 4008 B12R1.28 FCCSCc1ccnc(c1)Br 62a_100010254460_100011217306 [0,1,0,0,0,0|3,0,0]=4 4009 B12R1.28 FCCSCc1ccnc(c1)Br 62a_100011217306_100010243470 [0,1,0,0,0,0|3,0,0]=4 4010 B12R1.28 FCCSCc1ccnc(c1)Cl 62a_100000764220_100011217306 [0,1,0,0,0,0|3,0,0]=4 4011 B12R1.28 FCCSCc1ccnc(c1)Cl 62a_100011217306_100000764220 [0,1,0,0,0,0|3,0,0]=4 4012 B12R1.28 FCCSCc1cncc(c1)Br 62a_100000738771_100011217306 [0,1,0,0,0,0|3,0,0]=4 4013 B12R1.28 FCCSCc1cncc(c1)Br 62a_100011217306_100000738771 [0,1,0,0,0,0|3,0,0]=4 4014 B12R1.28 FCCSCc1cncc(c1)Cl 62a_100011217306_100016992070 [0,1,0,0,0,0|3,0,0]=4 4015 B12R1.28 FCCSCc1cncc(c1)Cl 62a_100016992070_100011217306 [0,1,0,0,0,0|3,0,0]=4 4016 B12R1.28 FCCSCc1cncc(c1)F 62a_100000725299_100011217306 [0,1,0,0,0,0|3,0,0]=4 4017 B12R1.28 FCCSCc1cncc(c1)F 62a_100011217306_100000725299 [0,1,0,0,0,0|3,0,0]=4 4018 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [0,1,0,0,0,0|2,0,0]=3 4019 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [0,1,0,0,0,0|2,0,0]=3 4020 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [0,1,0,0,0,0|2,0,0]=3 4021 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [0,1,0,0,0,0|2,0,0]=3 4022 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [0,1,0,0,0,0|2,0,0]=3 4023 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [0,1,0,0,0,0|2,0,0]=3 4024 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [0,1,0,0,0,0|2,0,0]=3 4025 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [0,1,0,0,0,0|2,0,0]=3 4026 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [0,1,0,0,0,0|2,0,0]=3 4027 B12R1.28 FCOCCc1cccc(n1)Br 34a_100010221043_100015361967 [0,1,0,0,0,0|3,0,0]=4 4028 B12R1.28 FCOCCc1cccc(n1)Br 7a_100010221043_100015361967 [0,1,0,0,0,0|3,0,0]=4 4029 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [0,1,0,0,0,0|2,0,0]=3 4030 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [0,1,0,0,0,0|2,0,0]=3 4031 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [0,1,0,0,0,0|2,0,0]=3 4032 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [0,1,0,0,0,0|2,0,0]=3 4033 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [0,1,0,0,0,0|2,0,0]=3 4034 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [0,1,0,0,0,0|2,0,0]=3 4035 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [0,1,0,0,0,0|2,0,0]=3 4036 B12R1.28 Fc1cccc(n1)COCCBr 34a_100000211926_100009819644 [0,1,0,0,0,0|3,0,0]=4 4037 B12R1.28 Fc1cncc(c1)COCCBr 34a_100000211926_100000725299 [0,1,0,0,0,0|3,0,0]=4 4038 B12R1.28 N#CCCCc1ccnc(c1)O 271570a_203496583355_106722366013 [0,1,0,0,0,0|1,0,2]=4 4039 B12R1.28 N#CCCOc1cccc(c1)Br 7a_100000210342_100000184422 [0,1,0,0,0,0|1,0,2]=4 4040 B12R1.28 N#CCCOc1cccc(c1)Cl 7a_100000210295_100000184422 [0,1,0,0,0,0|1,0,2]=4 4041 B12R1.28 N#CCCOc1cccc(c1)F 7a_100000210426_100000184422 [0,1,0,0,0,0|1,0,2]=4 4042 B12R1.28 N#CCCOc1cccc(c1)I 7a_100000211634_100000184422 [0,1,0,0,0,0|1,0,2]=4 4043 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100000691529_100011215226 [0,1,0,0,0,0|1,0,2]=4 4044 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100011215226_100000691529 [0,1,0,0,0,0|1,0,2]=4 4045 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100000699651_100011215226 [0,1,0,0,0,0|1,0,2]=4 4046 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100011215226_100000699651 [0,1,0,0,0,0|1,0,2]=4 4047 B12R1.28 N#CCCSc1cccc(c1)F 62a_100000685547_100011215226 [0,1,0,0,0,0|1,0,2]=4 4048 B12R1.28 N#CCCSc1cccc(c1)F 62a_100011215226_100000685547 [0,1,0,0,0,0|1,0,2]=4 4049 B12R1.28 N#CCCSc1cccc(c1)N 62a_100000210019_100011215226 [0,1,0,0,0,0|1,0,2]=4 4050 B12R1.28 N#CCCSc1cccc(c1)N 62a_100011215226_100000210019 [0,1,0,0,0,0|1,0,2]=4 4051 B12R1.28 N#CCCSc1cccc(c1)O 62a_100011215226_100000211634 [0,1,0,0,0,0|1,0,2]=4 4052 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_100011215226_114929384022 [0,1,0,0,0,0|1,0,2]=4 4053 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_114929384022_100011215226 [0,1,0,0,0,0|1,0,2]=4 4054 B12R1.28 N#CCNCc1cccc(c1)Br 2230a_100000174977_100011215382 [0,1,0,0,0,0|1,0,2]=4 4055 B12R1.28 N#CCNCc1cccc(c1)Cl 2230a_100000174878_100011215382 [0,1,0,0,0,0|1,0,2]=4 4056 B12R1.28 N#CCNCc1cccc(c1)F 2230a_100000174948_100011215382 [0,1,0,0,0,0|1,0,2]=4 4057 B12R1.28 N#CCNCc1cccc(c1)I 2230a_100000106179_100011215382 [0,1,0,0,0,0|1,0,2]=4 4058 B12R1.28 N#CCNCc1cccc(c1)O 2230a_100000743036_100011215382 [0,1,0,0,0,0|1,0,2]=4 4059 B12R1.28 N#CCOCc1cccc(c1)Br 7a_100000687537_100011215382 [0,1,0,0,0,0|1,0,2]=4 4060 B12R1.28 N#CCOCc1cccc(c1)Cl 7a_100000241301_100011215382 [0,1,0,0,0,0|1,0,2]=4 4061 B12R1.28 N#CCOCc1cccc(c1)F 7a_100000210976_100011215382 [0,1,0,0,0,0|1,0,2]=4 4062 B12R1.28 N#CCOCc1cccc(c1)I 7a_100011215336_100011215382 [0,1,0,0,0,0|1,0,2]=4 4063 B12R1.28 N#CCSCc1cccc(c1)Br 62a_100000211773_100011215382 [0,1,0,0,0,0|1,0,2]=4 4064 B12R1.28 N#CCSCc1cccc(c1)Br 62a_100011215382_100000211773 [0,1,0,0,0,0|1,0,2]=4 4065 B12R1.28 N#CCSCc1cccc(c1)Cl 62a_100000187163_100011215382 [0,1,0,0,0,0|1,0,2]=4 4066 B12R1.28 N#CCSCc1cccc(c1)Cl 62a_100011215382_100000187163 [0,1,0,0,0,0|1,0,2]=4 4067 B12R1.28 N#CCSCc1cccc(c1)F 62a_100000230114_100011215382 [0,1,0,0,0,0|1,0,2]=4 4068 B12R1.28 N#CCSCc1cccc(c1)F 62a_100011215382_100000230114 [0,1,0,0,0,0|1,0,2]=4 4069 B12R1.28 N#CCSCc1cccc(c1)I 62a_100011215382_100011218688 [0,1,0,0,0,0|1,0,2]=4 4070 B12R1.28 N#CCSCc1cccc(c1)I 62a_100011218688_100011215382 [0,1,0,0,0,0|1,0,2]=4 4071 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011215382_100011660834 [0,1,0,0,0,0|1,0,2]=4 4072 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011660834_100011215382 [0,1,0,0,0,0|1,0,2]=4 4073 B12R1.28 NCCOCc1cc(ccn1)Br 34a_100000210304_100010173614 [0,1,0,0,0,0|2,0,0]=3 4074 B12R1.28 NCCOCc1cc(ccn1)Cl 34a_100000210304_100016988179 [0,1,0,0,0,0|2,0,0]=3 4075 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,1,0,0,0,0|1,0,0]=2 4076 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,1,0,0,0,0|1,0,0]=2 4077 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,1,0,0,0,0|1,0,0]=2 4078 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,1,0,0,0,0|1,0,0]=2 4079 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,1,0,0,0,0|1,0,0]=2 4080 B12R1.28 NCCOCc1cccc(n1)Br 34a_100000210304_100009889011 [0,1,0,0,0,0|2,0,0]=3 4081 B12R1.28 NCCOCc1cccc(n1)Cl 34a_100000210304_100000086093 [0,1,0,0,0,0|2,0,0]=3 4082 B12R1.28 NCCOCc1cccc(n1)F 34a_100000210304_100009819644 [0,1,0,0,0,0|2,0,0]=3 4083 B12R1.28 NCCOCc1ccnc(c1)Br 34a_100000210304_100010243470 [0,1,0,0,0,0|2,0,0]=3 4084 B12R1.28 NCCOCc1ccnc(c1)Cl 34a_100000210304_100000764220 [0,1,0,0,0,0|2,0,0]=3 4085 B12R1.28 NCCOCc1ccnc(n1)Cl 34a_100000210304_100000099655 [0,1,0,0,0,0|3,0,0]=4 4086 B12R1.28 NCCOCc1cncc(c1)Br 34a_100000210304_100000738771 [0,1,0,0,0,0|2,0,0]=3 4087 B12R1.28 NCCOCc1cncc(c1)Cl 34a_100000210304_100016992070 [0,1,0,0,0,0|2,0,0]=3 4088 B12R1.28 NCCOCc1cncc(c1)F 34a_100000210304_100000725299 [0,1,0,0,0,0|2,0,0]=3 4089 B12R1.28 Nc1cc(ccn1)OCCCF 34a_100011834064_100011934791 [0,1,0,0,0,0|3,0,0]=4 4090 B12R1.28 Nc1cc(ccn1)OCCCO 34a_100011834064_100000230001 [0,1,0,0,0,0|3,0,0]=4 4091 B12R1.28 Nc1cc(ccn1)SCCCF 62a_100000049665_100011934791 [0,1,0,0,0,0|3,0,0]=4 4092 B12R1.28 Nc1cc(ccn1)SCCCF 62a_100011934791_100000049665 [0,1,0,0,0,0|3,0,0]=4 4093 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100000049665_100011215043 [0,1,0,0,0,0|3,0,0]=4 4094 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100011215043_100000049665 [0,1,0,0,0,0|3,0,0]=4 4095 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [0,1,0,0,0,0|2,0,0]=3 4096 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,1,0,0,0,0|2,0,1]=4 4097 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [0,1,0,0,0,0|2,0,0]=3 4098 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,1,0,0,0,0|2,0,0]=3 4099 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [0,1,0,0,0,0|2,0,0]=3 4100 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,1,0,0,0,0|2,0,0]=3 4101 B12R1.28 Nc1cccc(c1)SCCCF 62a_100000210019_100011934791 [0,1,0,0,0,0|2,0,0]=3 4102 B12R1.28 Nc1cccc(c1)SCCCF 62a_100011934791_100000210019 [0,1,0,0,0,0|2,0,0]=3 4103 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [0,1,0,0,0,0|2,0,0]=3 4104 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [0,1,0,0,0,0|2,0,0]=3 4105 B12R1.28 Nc1cccc(n1)SCCCF 62a_100000740741_100011934791 [0,1,0,0,0,0|3,0,0]=4 4106 B12R1.28 Nc1cccc(n1)SCCCF 62a_100011934791_100000740741 [0,1,0,0,0,0|3,0,0]=4 4107 B12R1.28 Nc1cccc(n1)SCCCO 62a_100000740741_100011215043 [0,1,0,0,0,0|3,0,0]=4 4108 B12R1.28 Nc1cccc(n1)SCCCO 62a_100011215043_100000740741 [0,1,0,0,0,0|3,0,0]=4 4109 B12R1.28 Nc1ccnc(c1)COCCF 34a_100000692640_100011217306 [0,1,0,0,0,0|3,0,0]=4 4110 B12R1.28 Nc1ccnc(c1)COCCO 34a_100000692640_100000211926 [0,1,0,0,0,0|3,0,0]=4 4111 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100009814236_100011934791 [0,1,0,0,0,0|3,0,0]=4 4112 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100011934791_100009814236 [0,1,0,0,0,0|3,0,0]=4 4113 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100009814236_100011215043 [0,1,0,0,0,0|3,0,0]=4 4114 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100011215043_100009814236 [0,1,0,0,0,0|3,0,0]=4 4115 B12R1.28 Nc1cncc(c1)COCCF 34a_100000085308_100011217306 [0,1,0,0,0,0|3,0,0]=4 4116 B12R1.28 Nc1cncc(c1)COCCO 34a_100000085308_100000211926 [0,1,0,0,0,0|3,0,0]=4 4117 B12R1.28 Nc1cncc(c1)OCCCF 34a_100011997051_100011934791 [0,1,0,0,0,0|3,0,0]=4 4118 B12R1.28 Nc1cncc(c1)OCCCO 34a_100011997051_100000230001 [0,1,0,0,0,0|3,0,0]=4 4119 B12R1.28 Nc1cncc(c1)SCCCF 62a_100000687067_100011934791 [0,1,0,0,0,0|3,0,0]=4 4120 B12R1.28 Nc1cncc(c1)SCCCF 62a_100011934791_100000687067 [0,1,0,0,0,0|3,0,0]=4 4121 B12R1.28 Nc1cncc(c1)SCCCO 62a_100000687067_100011215043 [0,1,0,0,0,0|3,0,0]=4 4122 B12R1.28 Nc1cncc(c1)SCCCO 62a_100011215043_100000687067 [0,1,0,0,0,0|3,0,0]=4 4123 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [0,1,0,0,0,0|2,0,1]=4 4124 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [0,1,0,0,0,0|2,0,1]=4 4125 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [0,1,0,0,0,0|2,0,1]=4 4126 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [0,1,0,0,0,0|2,0,1]=4 4127 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [0,1,0,0,0,0|2,0,1]=4 4128 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [0,1,0,0,0,0|2,0,1]=4 4129 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [0,1,0,0,0,0|2,0,1]=4 4130 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [0,1,0,0,0,0|2,0,1]=4 4131 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [0,1,0,0,0,0|2,0,1]=4 4132 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [0,1,0,0,0,0|2,0,1]=4 4133 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,1,0,0,0,0|2,0,1]=4 4134 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,1,0,0,0,0|2,0,1]=4 4135 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,1,0,0,0,0|2,0,1]=4 4136 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,1,0,0,0,0|2,0,1]=4 4137 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,1,0,0,0,0|2,0,1]=4 4138 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,1,0,0,0,0|2,0,1]=4 4139 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,1,0,0,0,0|2,0,1]=4 4140 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,1,0,0,0,0|2,0,1]=4 4141 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [0,1,0,0,0,0|2,0,1]=4 4142 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [0,1,0,0,0,0|2,0,1]=4 4143 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [0,1,0,0,0,0|2,0,1]=4 4144 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [0,1,0,0,0,0|2,0,1]=4 4145 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [0,1,0,0,0,0|2,0,1]=4 4146 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [0,1,0,0,0,0|2,0,1]=4 4147 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [0,1,0,0,0,0|2,0,1]=4 4148 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [0,1,0,0,0,0|2,0,1]=4 4149 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [0,1,0,0,0,0|2,0,1]=4 4150 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [0,1,0,0,0,0|2,0,1]=4 4151 B12R1.28 O=c1cc(cc[nH]1)NCCCF 27a_100015189416_100000061649 [0,1,0,0,0,0|3,0,0]=4 4152 B12R1.28 O=c1cc(cc[nH]1)NCCCO 27a_100000182051_100000061649 [0,1,0,0,0,0|3,0,0]=4 4153 B12R1.28 O=c1cc(cc[nH]1)OCCCF 34a_100000032262_100011934791 [0,1,0,0,0,0|3,0,0]=4 4154 B12R1.28 O=c1cc(cc[nH]1)OCCCO 34a_100000032262_100000230001 [0,1,0,0,0,0|3,0,0]=4 4155 B12R1.28 O=c1cc(cc[nH]1)SCCCF 62a_100009816521_100011934791 [0,1,0,0,0,0|3,0,0]=4 4156 B12R1.28 O=c1cc(cc[nH]1)SCCCF 62a_100011934791_100009816521 [0,1,0,0,0,0|3,0,0]=4 4157 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100009816521_100011215043 [0,1,0,0,0,0|3,0,0]=4 4158 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100011215043_100009816521 [0,1,0,0,0,0|3,0,0]=4 4159 B12R1.28 O=c1cc[nH]c(c1)SCCCF 62a_100009817434_100011934791 [0,1,0,0,0,0|3,0,0]=4 4160 B12R1.28 O=c1cc[nH]c(c1)SCCCO 62a_100009817434_100011215043 [0,1,0,0,0,0|3,0,0]=4 4161 B12R1.28 O=c1cccc([nH]1)CNCCF 2230a_100000696482_100011217306 [0,1,0,0,0,0|3,0,0]=4 4162 B12R1.28 O=c1cccc([nH]1)CNCCO 207a_100000210304_100011935257 [0,1,0,0,0,0|3,0,0]=4 4163 B12R1.28 O=c1cccc([nH]1)CNCCO 2230a_100000696482_100000211926 [0,1,0,0,0,0|3,0,0]=4 4164 B12R1.28 O=c1cccc([nH]1)OCCCF 34a_100000033347_100011934791 [0,1,0,0,0,0|3,0,0]=4 4165 B12R1.28 O=c1cccc([nH]1)OCCCO 34a_100000033347_100000230001 [0,1,0,0,0,0|3,0,0]=4 4166 B12R1.28 O=c1cccc([nH]1)SCCCF 62a_100011934791_100000752884 [0,1,0,0,0,0|3,0,0]=4 4167 B12R1.28 O=c1cccc([nH]1)SCCCO 62a_100011215043_100000752884 [0,1,0,0,0,0|3,0,0]=4 4168 B12R1.28 OCCCNc1cc(ccn1)F 27a_100000182051_100000764206 [0,1,0,0,0,0|3,0,0]=4 4169 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [0,1,0,0,0,0|2,0,0]=3 4170 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [0,1,0,0,0,0|2,0,0]=3 4171 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [0,1,0,0,0,0|2,0,0]=3 4172 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [0,1,0,0,0,0|2,0,0]=3 4173 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [0,1,0,0,0,0|2,0,0]=3 4174 B12R1.28 OCCCNc1cccc(n1)F 27a_100000182051_100009815982 [0,1,0,0,0,0|3,0,0]=4 4175 B12R1.28 OCCCNc1ccnc(c1)F 27a_100000182051_100009816116 [0,1,0,0,0,0|3,0,0]=4 4176 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,1,0,0,0,0|2,0,0]=3 4177 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,1,0,0,0,0|2,0,0]=3 4178 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,1,0,0,0,0|2,0,0]=3 4179 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,1,0,0,0,0|2,0,0]=3 4180 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,1,0,0,0,0|2,0,0]=3 4181 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,1,0,0,0,0|2,0,0]=3 4182 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,1,0,0,0,0|2,0,0]=3 4183 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,1,0,0,0,0|2,0,0]=3 4184 B12R1.28 OCCCOc1cccc(n1)F 34a_100011432558_100000230001 [0,1,0,0,0,0|3,0,0]=4 4185 B12R1.28 OCCCOc1ccnc(c1)Cl 34a_100000762945_100000230001 [0,1,0,0,0,0|3,0,0]=4 4186 B12R1.28 OCCCOc1ccnc(c1)F 34a_100000732698_100000230001 [0,1,0,0,0,0|3,0,0]=4 4187 B12R1.28 OCCCOc1cncc(c1)Br 34a_100000754920_100000230001 [0,1,0,0,0,0|3,0,0]=4 4188 B12R1.28 OCCCOc1cncc(c1)Br 7a_100000754920_100011215043 [0,1,0,0,0,0|3,0,0]=4 4189 B12R1.28 OCCCOc1cncc(c1)Cl 7a_100000032511_100011215043 [0,1,0,0,0,0|3,0,0]=4 4190 B12R1.28 OCCCOc1cncc(c1)F 34a_100011830296_100000230001 [0,1,0,0,0,0|3,0,0]=4 4191 B12R1.28 OCCCOc1cncc(c1)F 7a_100011830296_100011215043 [0,1,0,0,0,0|3,0,0]=4 4192 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100010167805_100011215043 [0,1,0,0,0,0|3,0,0]=4 4193 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100011215043_100010167805 [0,1,0,0,0,0|3,0,0]=4 4194 B12R1.28 OCCCSc1cc(ccn1)F 62a_100000764206_100011215043 [0,1,0,0,0,0|3,0,0]=4 4195 B12R1.28 OCCCSc1cc(ccn1)F 62a_100011215043_100000764206 [0,1,0,0,0,0|3,0,0]=4 4196 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [0,1,0,0,0,0|3,0,0]=4 4197 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [0,1,0,0,0,0|2,0,0]=3 4198 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [0,1,0,0,0,0|2,0,0]=3 4199 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [0,1,0,0,0,0|2,0,0]=3 4200 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [0,1,0,0,0,0|2,0,0]=3 4201 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [0,1,0,0,0,0|2,0,0]=3 4202 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [0,1,0,0,0,0|2,0,0]=3 4203 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [0,1,0,0,0,0|2,0,0]=3 4204 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [0,1,0,0,0,0|2,0,0]=3 4205 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [0,1,0,0,0,0|2,0,0]=3 4206 B12R1.28 OCCCSc1cccc(n1)Br 62a_100000684672_100011215043 [0,1,0,0,0,0|3,0,0]=4 4207 B12R1.28 OCCCSc1cccc(n1)Br 62a_100011215043_100000684672 [0,1,0,0,0,0|3,0,0]=4 4208 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100000051397_100011215043 [0,1,0,0,0,0|3,0,0]=4 4209 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100011215043_100000051397 [0,1,0,0,0,0|3,0,0]=4 4210 B12R1.28 OCCCSc1cccc(n1)F 62a_100009815982_100011215043 [0,1,0,0,0,0|3,0,0]=4 4211 B12R1.28 OCCCSc1cccc(n1)F 62a_100011215043_100009815982 [0,1,0,0,0,0|3,0,0]=4 4212 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100009814637_100011215043 [0,1,0,0,0,0|3,0,0]=4 4213 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100011215043_100009814637 [0,1,0,0,0,0|3,0,0]=4 4214 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100000035001_100011215043 [0,1,0,0,0,0|3,0,0]=4 4215 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100011215043_100000035001 [0,1,0,0,0,0|3,0,0]=4 4216 B12R1.28 OCCCSc1ccnc(c1)F 62a_100009816116_100011215043 [0,1,0,0,0,0|3,0,0]=4 4217 B12R1.28 OCCCSc1ccnc(c1)F 62a_100011215043_100009816116 [0,1,0,0,0,0|3,0,0]=4 4218 B12R1.28 OCCCSc1cncc(c1)Br 62a_100000728054_100011215043 [0,1,0,0,0,0|3,0,0]=4 4219 B12R1.28 OCCCSc1cncc(c1)Br 62a_100011215043_100000728054 [0,1,0,0,0,0|3,0,0]=4 4220 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100000049639_100011215043 [0,1,0,0,0,0|3,0,0]=4 4221 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100011215043_100000049639 [0,1,0,0,0,0|3,0,0]=4 4222 B12R1.28 OCCCSc1cncc(c1)F 62a_100000744099_100011215043 [0,1,0,0,0,0|3,0,0]=4 4223 B12R1.28 OCCCSc1cncc(c1)F 62a_100011215043_100000744099 [0,1,0,0,0,0|3,0,0]=4 4224 B12R1.28 OCCCSc1cncc(c1)O 62a_100000754920_100011215043 [0,1,0,0,0,0|3,0,0]=4 4225 B12R1.28 OCCCSc1cncc(c1)O 62a_100011215043_100000754920 [0,1,0,0,0,0|3,0,0]=4 4226 B12R1.28 OCCNCc1cc(ccn1)Br 2230a_100016997473_100010173614 [0,1,0,0,0,0|3,0,0]=4 4227 B12R1.28 OCCNCc1cc(ccn1)Br 270004a_100000210304_100009818557 [0,1,0,0,0,0|3,0,0]=4 4228 B12R1.28 OCCNCc1cc(ccn1)Br 34a_100016990907_100010173614 [0,1,0,0,0,0|3,0,0]=4 4229 B12R1.28 OCCNCc1cc(ccn1)Cl 2230a_100016997473_100016988179 [0,1,0,0,0,0|3,0,0]=4 4230 B12R1.28 OCCNCc1cc(ccn1)Cl 270004a_100000210304_100011998288 [0,1,0,0,0,0|3,0,0]=4 4231 B12R1.28 OCCNCc1cc(ccn1)Cl 34a_100016990907_100016988179 [0,1,0,0,0,0|3,0,0]=4 4232 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,1,0,0,0,0|2,0,0]=3 4233 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,1,0,0,0,0|2,0,0]=3 4234 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,1,0,0,0,0|2,0,0]=3 4235 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,1,0,0,0,0|2,0,0]=3 4236 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,1,0,0,0,0|2,0,0]=3 4237 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,1,0,0,0,0|2,0,0]=3 4238 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,1,0,0,0,0|2,0,0]=3 4239 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,1,0,0,0,0|2,0,0]=3 4240 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,1,0,0,0,0|2,0,0]=3 4241 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,1,0,0,0,0|2,0,0]=3 4242 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,1,0,0,0,0|2,0,0]=3 4243 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,1,0,0,0,0|2,0,0]=3 4244 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,1,0,0,0,0|2,0,0]=3 4245 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,1,0,0,0,0|2,0,0]=3 4246 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,1,0,0,0,0|2,0,0]=3 4247 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,1,0,0,0,0|2,0,0]=3 4248 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,1,0,0,0,0|2,0,0]=3 4249 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,1,0,0,0,0|2,0,0]=3 4250 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,1,0,0,0,0|2,0,0]=3 4251 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,1,0,0,0,0|2,0,0]=3 4252 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,1,0,0,0,0|2,0,0]=3 4253 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,1,0,0,0,0|2,0,0]=3 4254 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,1,0,0,0,0|2,0,0]=3 4255 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,1,0,0,0,0|2,0,0]=3 4256 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,1,0,0,0,0|2,0,0]=3 4257 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,1,0,0,0,0|2,0,0]=3 4258 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,1,0,0,0,0|2,0,0]=3 4259 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,1,0,0,0,0|2,0,0]=3 4260 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,1,0,0,0,0|2,0,0]=3 4261 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,1,0,0,0,0|2,0,0]=3 4262 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016987751_100000211926 [0,1,0,0,0,0|3,0,0]=4 4263 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016997473_100009889011 [0,1,0,0,0,0|3,0,0]=4 4264 B12R1.28 OCCNCc1cccc(n1)Br 270004a_100000210304_100000688028 [0,1,0,0,0,0|3,0,0]=4 4265 B12R1.28 OCCNCc1cccc(n1)Br 34a_100016990907_100009889011 [0,1,0,0,0,0|3,0,0]=4 4266 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016990191_100000211926 [0,1,0,0,0,0|3,0,0]=4 4267 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016997473_100000086093 [0,1,0,0,0,0|3,0,0]=4 4268 B12R1.28 OCCNCc1cccc(n1)Cl 270004a_100000210304_100011361687 [0,1,0,0,0,0|3,0,0]=4 4269 B12R1.28 OCCNCc1cccc(n1)Cl 34a_100016990907_100000086093 [0,1,0,0,0,0|3,0,0]=4 4270 B12R1.28 OCCNCc1cccc(n1)F 2230a_100015188798_100000211926 [0,1,0,0,0,0|3,0,0]=4 4271 B12R1.28 OCCNCc1cccc(n1)F 2230a_100016997473_100009819644 [0,1,0,0,0,0|3,0,0]=4 4272 B12R1.28 OCCNCc1cccc(n1)F 270004a_100000210304_100000050434 [0,1,0,0,0,0|3,0,0]=4 4273 B12R1.28 OCCNCc1cccc(n1)F 34a_100015188798_100000211926 [0,1,0,0,0,0|3,0,0]=4 4274 B12R1.28 OCCNCc1cccc(n1)F 34a_100016990907_100009819644 [0,1,0,0,0,0|3,0,0]=4 4275 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100016997473_100010243470 [0,1,0,0,0,0|3,0,0]=4 4276 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100025757509_100000211926 [0,1,0,0,0,0|3,0,0]=4 4277 B12R1.28 OCCNCc1ccnc(c1)Br 270004a_100000210304_100009814634 [0,1,0,0,0,0|3,0,0]=4 4278 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100016990907_100010243470 [0,1,0,0,0,0|3,0,0]=4 4279 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100025757509_100000211926 [0,1,0,0,0,0|3,0,0]=4 4280 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100015205668_100000211926 [0,1,0,0,0,0|3,0,0]=4 4281 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100016997473_100000764220 [0,1,0,0,0,0|3,0,0]=4 4282 B12R1.28 OCCNCc1ccnc(c1)Cl 270004a_100000210304_100011290808 [0,1,0,0,0,0|3,0,0]=4 4283 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100015205668_100000211926 [0,1,0,0,0,0|3,0,0]=4 4284 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100016990907_100000764220 [0,1,0,0,0,0|3,0,0]=4 4285 B12R1.28 OCCNCc1ccnc(c1)F 2230a_100015188774_100000211926 [0,1,0,0,0,0|3,0,0]=4 4286 B12R1.28 OCCNCc1ccnc(c1)F 270004a_100000210304_100000068331 [0,1,0,0,0,0|3,0,0]=4 4287 B12R1.28 OCCNCc1ccnc(c1)F 34a_100015188774_100000211926 [0,1,0,0,0,0|3,0,0]=4 4288 B12R1.28 OCCNCc1ccnc(c1)O 207a_100000210304_100000688113 [0,1,0,0,0,0|3,0,0]=4 4289 B12R1.28 OCCNCc1cncc(c1)Br 207a_100000210304_100000687066 [0,1,0,0,0,0|3,0,0]=4 4290 B12R1.28 OCCNCc1cncc(c1)Br 2230a_100016997473_100000738771 [0,1,0,0,0,0|3,0,0]=4 4291 B12R1.28 OCCNCc1cncc(c1)Br 270004a_100000210304_100000687066 [0,1,0,0,0,0|3,0,0]=4 4292 B12R1.28 OCCNCc1cncc(c1)Br 34a_100016990907_100000738771 [0,1,0,0,0,0|3,0,0]=4 4293 B12R1.28 OCCNCc1cncc(c1)Cl 207a_100000210304_100000088910 [0,1,0,0,0,0|3,0,0]=4 4294 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_100016997473_100016992070 [0,1,0,0,0,0|3,0,0]=4 4295 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_200020614424_100000211926 [0,1,0,0,0,0|3,0,0]=4 4296 B12R1.28 OCCNCc1cncc(c1)Cl 270004a_100000210304_100000088910 [0,1,0,0,0,0|3,0,0]=4 4297 B12R1.28 OCCNCc1cncc(c1)Cl 34a_100016990907_100016992070 [0,1,0,0,0,0|3,0,0]=4 4298 B12R1.28 OCCNCc1cncc(c1)F 207a_100000210304_100011361476 [0,1,0,0,0,0|3,0,0]=4 4299 B12R1.28 OCCNCc1cncc(c1)F 2230a_100011962886_100000211926 [0,1,0,0,0,0|3,0,0]=4 4300 B12R1.28 OCCNCc1cncc(c1)F 2230a_100016997473_100000725299 [0,1,0,0,0,0|3,0,0]=4 4301 B12R1.28 OCCNCc1cncc(c1)F 270004a_100000210304_100011361476 [0,1,0,0,0,0|3,0,0]=4 4302 B12R1.28 OCCNCc1cncc(c1)F 34a_100011962886_100000211926 [0,1,0,0,0,0|3,0,0]=4 4303 B12R1.28 OCCNCc1cncc(c1)F 34a_100016990907_100000725299 [0,1,0,0,0,0|3,0,0]=4 4304 B12R1.28 OCCNCc1cncc(c1)O 207a_100000210304_100012187055 [0,1,0,0,0,0|3,0,0]=4 4305 B12R1.28 OCCNCc1cncc(c1)O 270004a_100000210304_100012187055 [0,1,0,0,0,0|3,0,0]=4 4306 B12R1.28 OCCOCc1cc(ccn1)Cl 34a_100000748867_100000211926 [0,1,0,0,0,0|3,0,0]=4 4307 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,1,0,0,0,0|2,0,0]=3 4308 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,1,0,0,0,0|2,0,0]=3 4309 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,1,0,0,0,0|2,0,0]=3 4310 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,1,0,0,0,0|2,0,0]=3 4311 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,1,0,0,0,0|2,0,0]=3 4312 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,1,0,0,0,0|2,0,0]=3 4313 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,1,0,0,0,0|2,0,0]=3 4314 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,1,0,0,0,0|2,0,0]=3 4315 B12R1.28 OCCOCc1cccc(n1)Br 34a_100000694195_100000211926 [0,1,0,0,0,0|3,0,0]=4 4316 B12R1.28 OCCOCc1cccc(n1)Cl 34a_100011998359_100000211926 [0,1,0,0,0,0|3,0,0]=4 4317 B12R1.28 OCCOCc1cccc(n1)F 34a_100000086748_100000211926 [0,1,0,0,0,0|3,0,0]=4 4318 B12R1.28 OCCOCc1ccnc(c1)Br 34a_100009814636_100000211926 [0,1,0,0,0,0|3,0,0]=4 4319 B12R1.28 OCCOCc1ccnc(c1)Br 7a_100009814636_100000211926 [0,1,0,0,0,0|3,0,0]=4 4320 B12R1.28 OCCOCc1ccnc(c1)Cl 34a_100000748751_100000211926 [0,1,0,0,0,0|3,0,0]=4 4321 B12R1.28 OCCOCc1ccnc(c1)F 34a_100000082451_100000211926 [0,1,0,0,0,0|3,0,0]=4 4322 B12R1.28 OCCOCc1cncc(c1)Br 34a_100011259137_100000211926 [0,1,0,0,0,0|3,0,0]=4 4323 B12R1.28 OCCOCc1cncc(c1)Br 7a_100011259137_100000211926 [0,1,0,0,0,0|3,0,0]=4 4324 B12R1.28 OCCOCc1cncc(c1)Cl 34a_100000092867_100000211926 [0,1,0,0,0,0|3,0,0]=4 4325 B12R1.28 OCCOCc1cncc(c1)Cl 7a_100000092867_100000211926 [0,1,0,0,0,0|3,0,0]=4 4326 B12R1.28 OCCOCc1cncc(c1)F 34a_100011962875_100000211926 [0,1,0,0,0,0|3,0,0]=4 4327 B12R1.28 OCCOCc1cncc(c1)F 7a_100011962875_100000211926 [0,1,0,0,0,0|3,0,0]=4 4328 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100000211926_100010173614 [0,1,0,0,0,0|3,0,0]=4 4329 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100010173614_100000211926 [0,1,0,0,0,0|3,0,0]=4 4330 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100000211926_100016988179 [0,1,0,0,0,0|3,0,0]=4 4331 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100016988179_100000211926 [0,1,0,0,0,0|3,0,0]=4 4332 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [0,1,0,0,0,0|2,0,0]=3 4333 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [0,1,0,0,0,0|2,0,0]=3 4334 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [0,1,0,0,0,0|2,0,0]=3 4335 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [0,1,0,0,0,0|2,0,0]=3 4336 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [0,1,0,0,0,0|2,0,0]=3 4337 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [0,1,0,0,0,0|2,0,0]=3 4338 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [0,1,0,0,0,0|2,0,0]=3 4339 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [0,1,0,0,0,0|2,0,0]=3 4340 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [0,1,0,0,0,0|2,0,0]=3 4341 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [0,1,0,0,0,0|2,0,0]=3 4342 B12R1.28 OCCSCc1cccc(n1)Br 62a_100000211926_100009889011 [0,1,0,0,0,0|3,0,0]=4 4343 B12R1.28 OCCSCc1cccc(n1)Br 62a_100009889011_100000211926 [0,1,0,0,0,0|3,0,0]=4 4344 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000086093_100000211926 [0,1,0,0,0,0|3,0,0]=4 4345 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000211926_100000086093 [0,1,0,0,0,0|3,0,0]=4 4346 B12R1.28 OCCSCc1cccc(n1)F 62a_100000211926_100009819644 [0,1,0,0,0,0|3,0,0]=4 4347 B12R1.28 OCCSCc1cccc(n1)F 62a_100009819644_100000211926 [0,1,0,0,0,0|3,0,0]=4 4348 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100000211926_100010243470 [0,1,0,0,0,0|3,0,0]=4 4349 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100010254460_100000211926 [0,1,0,0,0,0|3,0,0]=4 4350 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000211926_100000764220 [0,1,0,0,0,0|3,0,0]=4 4351 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000764220_100000211926 [0,1,0,0,0,0|3,0,0]=4 4352 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000211926_100000738771 [0,1,0,0,0,0|3,0,0]=4 4353 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000738771_100000211926 [0,1,0,0,0,0|3,0,0]=4 4354 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100000211926_100016992070 [0,1,0,0,0,0|3,0,0]=4 4355 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100016992070_100000211926 [0,1,0,0,0,0|3,0,0]=4 4356 B12R1.28 OCCSCc1cncc(c1)F 62a_100000211926_100000725299 [0,1,0,0,0,0|3,0,0]=4 4357 B12R1.28 OCCSCc1cncc(c1)F 62a_100000725299_100000211926 [0,1,0,0,0,0|3,0,0]=4 4358 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [0,1,0,0,0,0|2,0,0]=3 4359 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [0,1,0,0,0,0|2,0,0]=3 4360 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [0,1,0,0,0,0|2,0,0]=3 4361 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [0,1,0,0,0,0|2,0,0]=3 4362 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [0,1,0,0,0,0|2,0,0]=3 4363 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011217306_100011660834 [0,1,0,0,0,0|2,0,0]=3 4364 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011660834_100011217306 [0,1,0,0,0,0|2,0,0]=3 4365 B12R1.28 Oc1cccc(c1)NCCCF 34a_100000210217_100011934791 [0,1,0,0,0,0|2,0,0]=3 4366 B12R1.28 Oc1cccc(c1)SCCCF 62a_100011934791_100000211634 [0,1,0,0,0,0|2,0,0]=3 4367 B12R1.28 Oc1ccnc(c1)SCCCF 62a_100011934791_100000762945 [0,1,0,0,0,0|3,0,0]=4 4368 B12R1.28 Oc1cncc(c1)SCCCF 62a_100000754920_100011934791 [0,1,0,0,0,0|3,0,0]=4 4369 B12R1.28 Oc1cncc(c1)SCCCF 62a_100011934791_100000754920 [0,1,0,0,0,0|3,0,0]=4 4370 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,1,0,0,0,0|2,0,0]=3 4371 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,1,0,0,0,0|2,0,0]=3 4372 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,1,0,0,0,0|2,0,0]=3 4373 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,1,0,0,0,0|2,0,0]=3 4374 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,1,0,0,0,0|2,0,0]=3 4375 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,1,0,0,0,0|2,0,0]=3 4376 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,1,0,0,0,0|3,0,0]=4 4377 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,1,0,0,0,0|3,0,0]=4 4378 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,1,0,0,0,0|3,0,0]=4 4379 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,1,0,0,0,0|3,0,0]=4 4380 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,1,0,0,0,0|3,0,0]=4 4381 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,1,0,0,0,0|3,0,0]=4 4382 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,1,0,0,0,0|2,0,0]=3 4383 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,1,0,0,0,0|2,0,0]=3 4384 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,1,0,0,0,0|2,0,0]=3 4385 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,1,0,0,0,0|2,0,0]=3 4386 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,1,0,0,0,0|2,0,0]=3 4387 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,1,0,0,0,0|2,0,0]=3 4388 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,1,0,0,0,0|3,0,0]=4 4389 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,1,0,0,0,0|3,0,0]=4 4390 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,1,0,0,0,0|3,0,0]=4 4391 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,1,0,0,0,0|3,0,0]=4 4392 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,1,0,0,0,0|3,0,0]=4 4393 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [0,1,0,0,0,0|3,0,0]=4 4394 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [0,1,0,0,0,0|3,0,0]=4 4395 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [0,1,0,0,0,0|3,0,0]=4 4396 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [0,1,0,0,0,0|3,0,0]=4 4397 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [0,1,0,0,0,0|3,0,0]=4 4398 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,1,0,0,0,0|2,0,0]=3 4399 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,1,0,0,0,0|2,0,0]=3 4400 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,1,0,0,0,0|2,0,0]=3 4401 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,1,0,0,0,0|2,0,0]=3 4402 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,1,0,0,0,0|3,0,0]=4 4403 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,1,0,0,0,0|3,0,0]=4 4404 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,1,0,0,0,0|3,0,0]=4 4405 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,1,0,0,0,0|3,0,0]=4 4406 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,1,0,0,0,0|3,0,0]=4 4407 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,1,0,0,0,0|3,0,0]=4 4408 B12R1.28 [O-][n+]1cccc(c1)COCCF 34a_100000037817_100011217306 [0,1,0,0,0,0|3,0,0]=4 4409 B12R1.28 [O-][n+]1cccc(c1)COCCF 7a_100000037817_100011217306 [0,1,0,0,0,0|3,0,0]=4 4410 B12R1.28 [O-][n+]1cccc(c1)COCCO 34a_100000037817_100000211926 [0,1,0,0,0,0|3,0,0]=4 4411 B12R1.28 [O-][n+]1cccc(c1)COCCO 7a_100000037817_100000211926 [0,1,0,0,0,0|3,0,0]=4 4412 B12R1.28 [O-][n+]1cccc(c1)OCCCF 34a_100000039713_100011934791 [0,1,0,0,0,0|3,0,0]=4 4413 B12R1.28 [O-][n+]1cccc(c1)OCCCF 7a_100000039713_100011934791 [0,1,0,0,0,0|3,0,0]=4 4414 B12R1.28 [O-][n+]1cccc(c1)OCCCO 34a_100000039713_100000230001 [0,1,0,0,0,0|3,0,0]=4 4415 B12R1.28 [O-][n+]1cccc(c1)OCCCO 7a_100000039713_100011215043 [0,1,0,0,0,0|3,0,0]=4 4416 B12R1.28 [O-][n+]1cccc(c1)SCCCF 62a_100011934791_100009815978 [0,1,0,0,0,0|3,0,0]=4 4417 B12R1.28 [O-][n+]1cccc(c1)SCCCO 62a_100011215043_100009815978 [0,1,0,0,0,0|3,0,0]=4 4418 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,1,0,0,0,0|1,0,2]=4 4419 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [0,1,0,0,0,0|2,0,1]=4 4420 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [0,1,0,0,0,0|2,0,1]=4 4421 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [0,1,0,0,0,0|2,0,1]=4 4422 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,1,0,0,0,0|2,0,1]=4 4423 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,1,0,0,0,0|2,0,1]=4 4424 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,1,0,0,0,0|2,0,1]=4 4425 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,1,0,0,0,0|2,0,1]=4 4426 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,1,0,0,0,0|2,0,1]=4 4427 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [0,1,0,0,0,0|2,0,1]=4 4428 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,1,0,0,0,0|1,0,2]=4 4429 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,1,0,0,0,0|2,0,1]=4 4430 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,1,0,0,0,0|2,0,1]=4 4431 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,1,0,0,0,0|2,0,1]=4 4432 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,1,0,0,0,0|2,0,1]=4 4433 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,1,0,0,0,0|2,0,1]=4 4434 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,1,0,0,0,0|2,0,1]=4 4435 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,1,0,0,0,0|2,0,1]=4 4436 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,1,0,0,0,0|2,0,1]=4 4437 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,1,0,0,0,0|2,0,1]=4 4438 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,1,0,0,0,0|2,0,1]=4 4439 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,1,0,0,0,0|2,0,0]=3 4440 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,1,0,0,0,0|2,0,0]=3 4441 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,1,0,0,0,0|2,0,0]=3 4442 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,1,0,0,0,0|2,0,0]=3 4443 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,1,0,0,0,0|2,0,0]=3 4444 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,1,0,0,0,0|2,0,0]=3 4445 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,1,0,0,0,0|2,0,0]=3 4446 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,1,0,0,0,0|3,0,0]=4 4447 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,1,0,0,0,0|3,0,0]=4 4448 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [0,1,0,0,0,0|3,0,0]=4 4449 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [0,1,0,0,0,0|3,0,0]=4 4450 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [0,1,0,0,0,0|3,0,0]=4 4451 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [0,1,0,0,0,0|3,0,0]=4 4452 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,1,0,0,0,0|2,0,0]=3 4453 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,1,0,0,0,0|2,0,0]=3 4454 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,1,0,0,0,0|2,0,0]=3 4455 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,1,0,0,0,0|3,0,0]=4 4456 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,1,0,0,0,0|3,0,0]=4 4457 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [0,1,0,0,0,0|3,0,0]=4 4458 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [0,1,0,0,0,0|3,0,0]=4 4459 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [0,1,0,0,0,0|3,0,0]=4 4460 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [0,1,0,0,0,0|3,0,0]=4 4461 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,1,0,0,0,0|2,0,0]=3 4462 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,1,0,0,0,0|1,0,0]=2 4463 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [0,1,0,0,0,0|1,0,2]=4 4464 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [0,1,0,0,0,0|1,0,2]=4 4465 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,1,0,0,0,0|2,0,1]=4 4466 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,1,0,0,0,0|2,0,1]=4 4467 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,1,0,0,0,0|2,0,0]=3 4468 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,1,0,0,0,0|2,0,0]=3 4469 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,1,0,0,0,0|2,0,0]=3 4470 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,1,0,0,0,0|2,0,0]=3 4471 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,0,0,0|1,0,1]=3 4472 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,1,0,0,0,0|2,0,0]=3 4473 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 4474 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,1,0,0,0,0|2,0,0]=3 4475 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 4476 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,1,0,0,0,0|2,0,0]=3 4477 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 4478 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 4479 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 4480 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 4481 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 4482 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 4483 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 4484 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 4485 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,0,0,0,0|2,0,0]=3 4486 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,1,0,0,0,0|3,0,0]=4 4487 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,1,0,0,0,0|3,0,0]=4 4488 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,1,0,0,0,0|3,0,0]=4 4489 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,1,0,0,0,0|3,0,0]=4 4490 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,1,0,0,0,0|3,0,0]=4 4491 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,1,0,0,0,0|3,0,0]=4 4492 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,0,0,0,0|2,0,0]=3 4493 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,0,0,0,0|2,0,0]=3 4494 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,0,0,0,0|2,0,0]=3 4495 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,0,0,0,0|2,0,0]=3 4496 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,0,0,0,0|2,0,0]=3 4497 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,0,0,0,0|2,0,0]=3 4498 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,0,0,0,0|2,0,0]=3 4499 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,0,0,0,0|2,0,0]=3 4500 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,0,0,0,0|2,0,0]=3 4501 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,0,0,0,0|2,0,0]=3 4502 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,0,0,0,0|2,0,0]=3 4503 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,0,0,0,0|2,0,0]=3 4504 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,1,0,0,0,0|3,0,0]=4 4505 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,1,0,0,0,0|3,0,0]=4 4506 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,0,0,0,0|2,0,0]=3 4507 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,0,0,0,0|2,0,0]=3 4508 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,0,0,0,0|2,0,0]=3 4509 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,0,0,0,0|2,0,0]=3 4510 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,0,0,0,0|2,0,0]=3 4511 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,1,0,0,0,0|3,0,0]=4 4512 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 4513 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,1,0,0,0,0|3,0,0]=4 4514 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,0,0,0,0|2,0,0]=3 4515 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,1,0,0,0,0|2,0,1]=4 4516 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,1,0,0,0,0|2,0,1]=4 4517 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,0,0,0,0|2,0,0]=3 4518 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,0,0,0,0|2,0,0]=3 4519 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,0,0,0,0|2,0,0]=3 4520 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,0,0,0,0|2,0,0]=3 4521 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,1,0,0,0,0|3,0,0]=4 4522 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,0,0,0,0|2,0,0]=3 4523 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,0,0,0,0|2,0,0]=3 4524 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [0,1,0,0,0,0|1,0,2]=4 4525 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [0,1,0,0,0,0|1,0,2]=4 4526 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [0,1,0,0,0,0|1,0,2]=4 4527 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,1,0,0,0,0|2,0,0]=3 4528 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,1,0,0,0,0|2,0,0]=3 4529 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,1,0,0,0,0|2,0,0]=3 4530 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,1,0,0,0,0|2,0,0]=3 4531 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 4532 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,1,0,0,0,0|2,0,0]=3 4533 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 4534 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,1,0,0,0,0|2,0,0]=3 4535 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 4536 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,1,0,0,0,0|2,0,1]=4 4537 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,1,0,0,0,0|2,0,1]=4 4538 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,0,0,0,0|2,0,0]=3 4539 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,0,0,0,0|2,0,0]=3 4540 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,1,0,0,0,0|3,0,0]=4 4541 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,1,0,0,0,0|3,0,0]=4 4542 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,0,0,0,0|2,0,0]=3 4543 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,0,0,0,0|2,0,0]=3 4544 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,0,0,0,0|2,0,0]=3 4545 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,1,0,0,0,0|2,0,1]=4 4546 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 4547 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,1,0,0,0,0|3,0,0]=4 4548 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 4549 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,0,0,0,0|2,0,0]=3 4550 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,0,0,0,0|2,0,0]=3 4551 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,1,0,0,0,0|3,0,0]=4 4552 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,1,0,0,0,0|3,0,0]=4 4553 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,1,0,0,0,0|3,0,0]=4 4554 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,1,0,0,0,0|2,0,1]=4 4555 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,1,0,0,0,0|2,0,1]=4 4556 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,1,0,0,0,0|2,0,1]=4 4557 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,1,0,0,0,0|3,0,0]=4 4558 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 4559 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 4560 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,1,0,0,0,0|3,0,0]=4 4561 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,0,0,0,0|2,0,0]=3 4562 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,0,0,0,0|2,0,0]=3 4563 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,1,0,0,0,0|3,0,0]=4 4564 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,1,0,0,0,0|3,0,0]=4 4565 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,1,0,0,0,0|3,0,0]=4 4566 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,1,0,0,0,0|3,0,0]=4 4567 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,1,0,0,0,0|1,0,2]=4 4568 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,1,0,0,0,0|2,0,1]=4 4569 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,1,0,0,0,0|2,0,0]=3 4570 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,1,0,0,0,0|2,0,0]=3 4571 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,1,0,0,0,0|1,0,2]=4 4572 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,1,0,0,0,0|2,0,1]=4 4573 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,1,0,0,0,0|2,0,1]=4 4574 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,1,0,0,0,0|2,0,0]=3 4575 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,1,0,0,0,0|2,0,0]=3 4576 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,1,0,0,0,0|2,0,0]=3 4577 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,1,0,0,0,0|2,0,0]=3 4578 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,1,0,0,0,0|0,0,3]=4 4579 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|2,0,0]=3 4580 B12R1.30 N[C@H](COCF)c1ccncc1 34a_100138412524_100015361967 [0,1,0,0,0,0|3,0,0]=4 4581 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,1,0,0,0,0|1,0,1]=3 4582 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,1,0,0,0,0|1,0,1]=3 4583 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,1,0,0,0,0|2,0,1]=4 4584 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,1,0,0,0,0|2,0,1]=4 4585 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,1,0,0,0,0|2,0,1]=4 4586 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,1,0,0,0,0|2,0,1]=4 4587 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,1,0,0,0,0|2,0,1]=4 4588 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,1,0,0,0,0|2,0,1]=4 4589 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,1,0,0,0,0|2,0,1]=4 4590 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,1,0,0,0,0|2,0,1]=4 4591 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,1,0,0,0,0|3,0,0]=4 4592 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,1,0,0,0,0|2,0,0]=3 4593 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,1,0,0,0,0|2,0,0]=3 4594 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,1,0,0,0,0|2,0,0]=3 4595 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,1,0,0,0,0|2,0,0]=3 4596 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [0,1,0,0,0,0|1,0,2]=4 4597 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 4598 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 4599 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 4600 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,0,0,0,0|2,0,0]=3 4601 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,0,0,0,0|2,0,0]=3 4602 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,1,0,0,0,0|2,0,1]=4 4603 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,1,0,0,0,0|2,0,1]=4 4604 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,1,0,0,0,0|3,0,0]=4 4605 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,0,0,0,0|2,0,0]=3 4606 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,0,0,0,0|2,0,0]=3 4607 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,1,0,0,0,0|1,0,2]=4 4608 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,1,0,0,0,0|2,0,1]=4 4609 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,1,0,0,0,0|2,0,1]=4 4610 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,1,0,0,0,0|2,0,1]=4 4611 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,1,0,0,0,0|2,0,1]=4 4612 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,1,0,0,0,0|2,0,1]=4 4613 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,1,0,0,0,0|2,0,1]=4 4614 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,1,0,0,0,0|2,0,1]=4 4615 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,1,0,0,0,0|2,0,1]=4 4616 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,1,0,0,0,0|2,0,1]=4 4617 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,1,0,0,0,0|2,0,1]=4 4618 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,0|1,0,2]=4 4619 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,1,0,0,0,0|2,0,1]=4 4620 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,1,0,0,0,0|2,0,1]=4 4621 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,1,0,0,0,0|2,0,1]=4 4622 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,1,0,0,0,0|2,0,1]=4 4623 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,1,0,0,0,0|2,0,1]=4 4624 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,1,0,0,0,0|2,0,1]=4 4625 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,1,0,0,0,0|2,0,1]=4 4626 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,1,0,0,0,0|2,0,1]=4 4627 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,1,0,0,0,0|2,0,1]=4 4628 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,1,0,0,0,0|1,0,2]=4 4629 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,1,0,0,0,0|1,0,2]=4 4630 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,1,0,0,0,0|1,0,2]=4 4631 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,1,0,0,0,0|2,0,0]=3 4632 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,1,0,0,0,0|2,0,0]=3 4633 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,1,0,0,0,0|2,0,0]=3 4634 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,1,0,0,0,0|3,0,0]=4 4635 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,1,0,0,0,0|3,0,0]=4 4636 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [0,1,0,0,0,0|3,0,0]=4 4637 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,1,0,0,0,0|2,0,0]=3 4638 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,1,0,0,0,0|2,0,0]=3 4639 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,1,0,0,0,0|3,0,0]=4 4640 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,1,0,0,0,0|3,0,0]=4 4641 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,1,0,0,0,0|3,0,0]=4 4642 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,1,0,0,0,0|3,0,0]=4 4643 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [0,1,0,0,0,0|3,0,0]=4 4644 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [0,1,0,0,0,0|3,0,0]=4 4645 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,1,0,0,0,0|3,0,0]=4 4646 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,1,0,0,0,0|3,0,0]=4 4647 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,0|2,0,0]=3 4648 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,0|2,0,0]=3 4649 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,0,0,0,0|3,0,0]=4 4650 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,0,0,0,0|3,0,0]=4 4651 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,1,0,0,0,0|2,0,0]=3 4652 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,1,0,0,0,0|2,0,0]=3 4653 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,1,0,0,0,0|2,0,0]=3 4654 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,1,0,0,0,0|2,0,0]=3 4655 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,1,0,0,0,0|2,0,1]=4 4656 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,0|1,0,1]=3 4657 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,1,0,0,0,0|2,0,1]=4 4658 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,1,0,0,0,0|2,0,1]=4 4659 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,0,0,0,0|2,0,1]=4 4660 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,0,0,0,0|2,0,1]=4 4661 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,1,0,0,0,0|2,0,1]=4 4662 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 4663 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 4664 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 4665 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 4666 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,1,0,0,0,0|2,0,0]=3 4667 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,0,0,0,0|2,0,0]=3 4668 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,0,0,0,0|2,0,0]=3 4669 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,1,0,0,0,0|3,0,0]=4 4670 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,1,0,0,0,0|3,0,0]=4 4671 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,1,0,0,0,0|3,0,0]=4 4672 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,1,0,0,0,0|2,0,0]=3 4673 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,1,0,0,0,0|2,0,0]=3 4674 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,1,0,0,0,0|3,0,0]=4 4675 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,1,0,0,0,0|3,0,0]=4 4676 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,1,0,0,0,0|3,0,0]=4 4677 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,1,0,0,0,0|3,0,0]=4 4678 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [0,1,0,0,0,0|3,0,0]=4 4679 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [0,1,0,0,0,0|3,0,0]=4 4680 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,0,0,0,0|2,0,0]=3 4681 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,0,0,0,0|2,0,0]=3 4682 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,0,0,0,0|2,0,0]=3 4683 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,0,0,0,0|2,0,0]=3 4684 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,0,0,0,0|2,0,0]=3 4685 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,0,0,0,0|2,0,0]=3 4686 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,0,0,0,0|2,0,0]=3 4687 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,1,0,0,0,0|3,0,0]=4 4688 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,1,0,0,0,0|3,0,0]=4 4689 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,1,0,0,0,0|3,0,0]=4 4690 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,1,0,0,0,0|3,0,0]=4 4691 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,1,0,0,0,0|3,0,0]=4 4692 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,1,0,0,0,0|3,0,0]=4 4693 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,1,0,0,0,0|3,0,0]=4 4694 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,1,0,0,0,0|3,0,0]=4 4695 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,1,0,0,0,0|3,0,0]=4 4696 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,1,0,0,0,0|3,0,0]=4 4697 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,1,0,0,0,0|3,0,0]=4 4698 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,1,0,0,0,0|3,0,0]=4 4699 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,1,0,0,0,0|3,0,0]=4 4700 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,1,0,0,0,0|3,0,0]=4 4701 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,1,0,0,0,0|3,0,0]=4 4702 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,1,0,0,0,0|3,0,0]=4 4703 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,1,0,0,0,0|3,0,0]=4 4704 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,1,0,0,0,0|3,0,0]=4 4705 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,1,0,0,0,0|3,0,0]=4 4706 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,0,0,0,0|2,0,0]=3 4707 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,0,0,0,0|2,0,0]=3 4708 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,1,0,0,0,0|3,0,0]=4 4709 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,1,0,0,0,0|3,0,0]=4 4710 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,1,0,0,0,0|3,0,0]=4 4711 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,1,0,0,0,0|3,0,0]=4 4712 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,1,0,0,0,0|3,0,0]=4 4713 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,1,0,0,0,0|3,0,0]=4 4714 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,1,0,0,0,0|3,0,0]=4 4715 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,1,0,0,0,0|3,0,0]=4 4716 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,1,0,0,0,0|3,0,0]=4 4717 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,1,0,0,0,0|3,0,0]=4 4718 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,0|2,0,0]=3 4719 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,0|2,0,0]=3 4720 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,0|2,0,0]=3 4721 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,0,0,0|2,0,0]=3 4722 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,0,0,0|2,0,0]=3 4723 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,1,0,0,0,0|1,0,2]=4 4724 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,1,0,0,0,0|1,0,2]=4 4725 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,1,0,0,0,0|1,0,2]=4 4726 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,1,0,0,0,0|1,0,2]=4 4727 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,1,0,0,0,0|2,0,1]=4 4728 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,1,0,0,0,0|2,0,1]=4 4729 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,1,0,0,0,0|2,0,0]=3 4730 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,1,0,0,0,0|2,0,0]=3 4731 B12R1.32 CN(CCF)Cc1ccccn1 2230a_100000207498_100011217306 [0,1,0,0,0,0|3,0,0]=4 4732 B12R1.32 CN(CCF)Cc1ccccn1 269982a_100000207498_100011217306 [0,1,0,0,0,0|3,0,0]=4 4733 B12R1.32 CN(CCF)Cc1cccnc1 2230a_100000184577_100011217306 [0,1,0,0,0,0|3,0,0]=4 4734 B12R1.32 CN(CCF)Cc1cccnc1 269982a_100000184577_100011217306 [0,1,0,0,0,0|3,0,0]=4 4735 B12R1.32 CN(CCF)Cc1ccncc1 2230a_100000187231_100011217306 [0,1,0,0,0,0|3,0,0]=4 4736 B12R1.32 CN(CCF)Cc1ccncc1 269982a_100000187231_100011217306 [0,1,0,0,0,0|3,0,0]=4 4737 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 4738 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,1,0,0,0,0|2,0,0]=3 4739 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,1,0,0,0,0|2,0,0]=3 4740 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 4741 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,1,0,0,0,0|2,0,0]=3 4742 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,1,0,0,0,0|2,0,0]=3 4743 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,1,0,0,0,0|2,0,0]=3 4744 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,1,0,0,0,0|3,0,0]=4 4745 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,1,0,0,0,0|3,0,0]=4 4746 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,1,0,0,0,0|3,0,0]=4 4747 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,1,0,0,0,0|3,0,0]=4 4748 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,1,0,0,0,0|3,0,0]=4 4749 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [0,1,0,0,0,0|3,0,0]=4 4750 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [0,1,0,0,0,0|3,0,0]=4 4751 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [0,1,0,0,0,0|3,0,0]=4 4752 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [0,1,0,0,0,0|3,0,0]=4 4753 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [0,1,0,0,0,0|3,0,0]=4 4754 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [0,1,0,0,0,0|3,0,0]=4 4755 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [0,1,0,0,0,0|3,0,0]=4 4756 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000187231_100000211926 [0,1,0,0,0,0|3,0,0]=4 4757 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000210263_100015193705 [0,1,0,0,0,0|3,0,0]=4 4758 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000187231_100000211926 [0,1,0,0,0,0|3,0,0]=4 4759 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000210263_100015193705 [0,1,0,0,0,0|3,0,0]=4 4760 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,0|2,0,1]=4 4761 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,0|2,0,1]=4 4762 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,1,0,0,0,0|3,0,0]=4 4763 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,1,0,0,0,0|3,0,0]=4 4764 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,0|2,0,0]=3 4765 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,0|2,0,0]=3 4766 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,0|2,0,0]=3 4767 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,0|2,0,0]=3 4768 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,0|2,0,1]=4 4769 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,0|2,0,0]=3 4770 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,0|2,0,0]=3 4771 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,1,0,0,0,0|3,0,0]=4 4772 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,0,0,0,0|3,0,0]=4 4773 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,0,0,0,0|3,0,0]=4 4774 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,0,0,0,0|3,0,0]=4 4775 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,0,0,0,0|3,0,0]=4 4776 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,1,0,0,0,0|3,0,0]=4 4777 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,1,0,0,0,0|3,0,0]=4 4778 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,0,0,0|2,0,0]=3 4779 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,1,0,0,0,0|3,0,0]=4 4780 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,1,0,0,0,0|3,0,0]=4 4781 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,0|2,0,0]=3 4782 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,0|2,0,1]=4 4783 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,0|2,0,1]=4 4784 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,0|2,0,1]=4 4785 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,1,0,0,0,0|3,0,0]=4 4786 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,1,0,0,0,0|3,0,0]=4 4787 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,0,0,0|2,0,0]=3 4788 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,0,0,0|2,0,0]=3 4789 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,1,0,0,0,0|0,0,3]=4 4790 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,1,0,0,0,0|2,0,1]=4 4791 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,1,0,0,0,0|2,0,1]=4 4792 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,1,0,0,0,0|2,0,1]=4 4793 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,1,0,0,0,0|2,0,1]=4 4794 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,0|1,0,1]=3 4795 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,0,0,0,0|2,0,1]=4 4796 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,0,0,0,0|2,0,1]=4 4797 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,0,0,0,0|2,0,1]=4 4798 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,0,0,0,0|2,0,1]=4 4799 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,1,0,0,0,0|2,0,1]=4 4800 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,0,0,0,0|2,0,1]=4 4801 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,1,0,0,0,0|1,0,2]=4 4802 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 4803 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 4804 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [0,1,0,0,0,0|3,0,0]=4 4805 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [0,1,0,0,0,0|3,0,0]=4 4806 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,0|2,0,0]=3 4807 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,0,0,0|2,0,0]=3 4808 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,0|2,0,1]=4 4809 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,0|2,0,1]=4 4810 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,0,0,0|2,0,0]=3 4811 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,0,0,0|2,0,0]=3 4812 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,1,0,0,0,0|2,0,1]=4 4813 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,1,0,0,0,0|2,0,1]=4 4814 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,1,0,0,0,0|2,0,1]=4 4815 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,1,0,0,0,0|2,0,1]=4 4816 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,1,0,0,0,0|2,0,1]=4 4817 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,1,0,0,0,0|2,0,1]=4 4818 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,1,0,0,0,0|2,0,1]=4 4819 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,1,0,0,0,0|2,0,1]=4 4820 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,1,0,0,0,0|2,0,1]=4 4821 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,1,0,0,0,0|2,0,1]=4 4822 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,1,0,0,0,0|2,0,1]=4 4823 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,1,0,0,0,0|2,0,1]=4 4824 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,1,0,0,0,0|2,0,1]=4 4825 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,1,0,0,0,0|2,0,1]=4 4826 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,1,0,0,0,0|2,0,1]=4 4827 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,1,0,0,0,0|2,0,1]=4 4828 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,1,0,0,0,0|2,0,1]=4 4829 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,1,0,0,0,0|2,0,1]=4 4830 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,1,0,0,0,0|2,0,1]=4 4831 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,1,0,0,0,0|1,0,1]=3 4832 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,1,0,0,0,0|1,0,1]=3 4833 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,1,0,0,0,0|2,0,1]=4 4834 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,1,0,0,0,0|2,0,1]=4 4835 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,1,0,0,0,0|2,0,1]=4 4836 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,1,0,0,0,0|2,0,1]=4 4837 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,1,0,0,0,0|2,0,1]=4 4838 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,1,0,0,0,0|2,0,1]=4 4839 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,1,0,0,0,0|2,0,1]=4 4840 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,1,0,0,0,0|2,0,1]=4 4841 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,1,0,0,0,0|2,0,1]=4 4842 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,1,0,0,0,0|2,0,1]=4 4843 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,1,0,0,0,0|2,0,1]=4 4844 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,1,0,0,0,0|2,0,1]=4 4845 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,1,0,0,0,0|2,0,1]=4 4846 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,1,0,0,0,0|2,0,1]=4 4847 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,1,0,0,0,0|2,0,1]=4 4848 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,1,0,0,0,0|2,0,1]=4 4849 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,1,0,0,0,0|2,0,1]=4 4850 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,1,0,0,0,0|2,0,0]=3 4851 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,1,0,0,0,0|3,0,0]=4 4852 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,1,0,0,0,0|3,0,0]=4 4853 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,1,0,0,0,0|1,0,2]=4 4854 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,1,0,0,0,0|2,0,0]=3 4855 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,1,0,0,0,0|2,0,0]=3 4856 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,1,0,0,0,0|2,0,0]=3 4857 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,1,0,0,0,0|3,0,0]=4 4858 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,1,0,0,0,0|3,0,0]=4 4859 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,1,0,0,0,0|3,0,0]=4 4860 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,1,0,0,0,0|2,0,0]=3 4861 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,1,0,0,0,0|2,0,0]=3 4862 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,1,0,0,0,0|3,0,0]=4 4863 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,1,0,0,0,0|3,0,0]=4 4864 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,1,0,0,0,0|3,0,0]=4 4865 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,1,0,0,0,0|3,0,0]=4 4866 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [0,1,0,0,0,0|3,0,0]=4 4867 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [0,1,0,0,0,0|3,0,0]=4 4868 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,1,0,0,0,0|2,0,0]=3 4869 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,1,0,0,0,0|2,0,0]=3 4870 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,1,0,0,0,0|2,0,0]=3 4871 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,1,0,0,0,0|2,0,0]=3 4872 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,1,0,0,0,0|2,0,0]=3 4873 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,1,0,0,0,0|2,0,0]=3 4874 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,1,0,0,0,0|2,0,0]=3 4875 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,1,0,0,0,0|3,0,0]=4 4876 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,1,0,0,0,0|3,0,0]=4 4877 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,1,0,0,0,0|3,0,0]=4 4878 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,1,0,0,0,0|3,0,0]=4 4879 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,1,0,0,0,0|3,0,0]=4 4880 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,1,0,0,0,0|3,0,0]=4 4881 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,1,0,0,0,0|3,0,0]=4 4882 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,1,0,0,0,0|3,0,0]=4 4883 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,1,0,0,0,0|3,0,0]=4 4884 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,1,0,0,0,0|3,0,0]=4 4885 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,1,0,0,0,0|3,0,0]=4 4886 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,1,0,0,0,0|3,0,0]=4 4887 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,1,0,0,0,0|2,0,0]=3 4888 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,1,0,0,0,0|2,0,0]=3 4889 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,1,0,0,0,0|2,0,0]=3 4890 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,1,0,0,0,0|3,0,0]=4 4891 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,1,0,0,0,0|3,0,0]=4 4892 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,1,0,0,0,0|2,0,0]=3 4893 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,1,0,0,0,0|2,0,0]=3 4894 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,1,0,0,0,0|3,0,0]=4 4895 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,1,0,0,0,0|3,0,0]=4 4896 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,1,0,0,0,0|3,0,0]=4 4897 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,1,0,0,0,0|3,0,0]=4 4898 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,1,0,0,0,0|3,0,0]=4 4899 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,1,0,0,0,0|3,0,0]=4 4900 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,1,0,0,0,0|2,0,0]=3 4901 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,1,0,0,0,0|2,0,0]=3 4902 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,1,0,0,0,0|2,0,0]=3 4903 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,1,0,0,0,0|2,0,0]=3 4904 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,1,0,0,0,0|3,0,0]=4 4905 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,1,0,0,0,0|3,0,0]=4 4906 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,1,0,0,0,0|3,0,0]=4 4907 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,1,0,0,0,0|3,0,0]=4 4908 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,1,0,0,0,0|3,0,0]=4 4909 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,1,0,0,0,0|2,0,0]=3 4910 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,1,0,0,0,0|2,0,0]=3 4911 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,1,0,0,0,0|2,0,0]=3 4912 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,1,0,0,0,0|3,0,0]=4 4913 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,1,0,0,0,0|3,0,0]=4 4914 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [0,1,0,0,0,0|3,0,0]=4 4915 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,1,0,0,0,0|3,0,0]=4 4916 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,1,0,0,0,0|3,0,0]=4 4917 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,1,0,0,0,0|3,0,0]=4 4918 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,1,0,0,0,0|3,0,0]=4 4919 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,1,0,0,0,0|2,0,0]=3 4920 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,1,0,0,0,0|2,0,0]=3 4921 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,1,0,0,0,0|3,0,0]=4 4922 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,1,0,0,0,0|3,0,0]=4 4923 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,1,0,0,0,0|3,0,0]=4 4924 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,1,0,0,0,0|3,0,0]=4 4925 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [0,1,0,0,0,0|3,0,0]=4 4926 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [0,1,0,0,0,0|3,0,0]=4 4927 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [0,1,0,0,0,0|3,0,0]=4 4928 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [0,1,0,0,0,0|3,0,0]=4 4929 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,1,0,0,0,0|2,0,0]=3 4930 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,1,0,0,0,0|3,0,0]=4 4931 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,1,0,0,0,0|3,0,0]=4 4932 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,1,0,0,0,0|2,0,0]=3 4933 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,1,0,0,0,0|2,0,0]=3 4934 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,1,0,0,0,0|2,0,0]=3 4935 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,1,0,0,0,0|3,0,0]=4 4936 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,1,0,0,0,0|3,0,0]=4 4937 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,1,0,0,0,0|3,0,0]=4 4938 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,1,0,0,0,0|2,0,0]=3 4939 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,1,0,0,0,0|2,0,0]=3 4940 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,1,0,0,0,0|3,0,0]=4 4941 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,1,0,0,0,0|3,0,0]=4 4942 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,1,0,0,0,0|3,0,0]=4 4943 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,1,0,0,0,0|3,0,0]=4 4944 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,1,0,0,0,0|3,0,0]=4 4945 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,1,0,0,0,0|3,0,0]=4 4946 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,1,0,0,0,0|2,0,0]=3 4947 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,1,0,0,0,0|2,0,0]=3 4948 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,1,0,0,0,0|2,0,0]=3 4949 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,1,0,0,0,0|2,0,0]=3 4950 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,0|2,0,0]=3 4951 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,1,0,0,0,0|2,0,0]=3 4952 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,1,0,0,0,0|3,0,0]=4 4953 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,1,0,0,0,0|3,0,0]=4 4954 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,1,0,0,0,0|3,0,0]=4 4955 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,0|3,0,0]=4 4956 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,1,0,0,0,0|3,0,0]=4 4957 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,1,0,0,0,0|3,0,0]=4 4958 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,1,0,0,0,0|3,0,0]=4 4959 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,1,0,0,0,0|3,0,0]=4 4960 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,1,0,0,0,0|3,0,0]=4 4961 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,1,0,0,0,0|3,0,0]=4 4962 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,1,0,0,0,0|2,0,0]=3 4963 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,1,0,0,0,0|2,0,0]=3 4964 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,1,0,0,0,0|2,0,0]=3 4965 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,1,0,0,0,0|2,0,0]=3 4966 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,1,0,0,0,0|3,0,0]=4 4967 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,1,0,0,0,0|3,0,0]=4 4968 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,1,0,0,0,0|3,0,0]=4 4969 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,1,0,0,0,0|3,0,0]=4 4970 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,1,0,0,0,0|3,0,0]=4 4971 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,1,0,0,0,0|3,0,0]=4 4972 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,1,0,0,0,0|2,0,0]=3 4973 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,1,0,0,0,0|2,0,0]=3 4974 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,1,0,0,0,0|2,0,0]=3 4975 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,1,0,0,0,0|2,0,0]=3 4976 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,1,0,0,0,0|3,0,0]=4 4977 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,1,0,0,0,0|3,0,0]=4 4978 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,1,0,0,0,0|3,0,0]=4 4979 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,1,0,0,0,0|3,0,0]=4 4980 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,1,0,0,0,0|3,0,0]=4 4981 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,1,0,0,0,0|3,0,0]=4 4982 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,1,0,0,0,0|3,0,0]=4 4983 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,1,0,0,0,0|3,0,0]=4 4984 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,1,0,0,0,0|3,0,0]=4 4985 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,1,0,0,0,0|3,0,0]=4 4986 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,1,0,0,0,0|3,0,0]=4 4987 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,1,0,0,0,0|3,0,0]=4 4988 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,1,0,0,0,0|2,0,0]=3 4989 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,1,0,0,0,0|2,0,0]=3 4990 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,1,0,0,0,0|3,0,0]=4 4991 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,1,0,0,0,0|3,0,0]=4 4992 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,1,0,0,0,0|2,0,0]=3 4993 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,1,0,0,0,0|3,0,0]=4 4994 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,1,0,0,0,0|3,0,0]=4 4995 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,1,0,0,0,0|1,0,0]=2 4996 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,1,0,0,0,0|2,0,0]=3 4997 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,1,0,0,0,0|2,0,0]=3 4998 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,1,0,0,0,0|3,0,0]=4 4999 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,1,0,0,0,0|3,0,0]=4 5000 B12R1.252 C[C@@H](N)COCc1cncnc1 34a_100000737577_100015196519 [0,1,0,0,0,0|3,0,0]=4 5001 B12R1.252 C[C@@H](N)COCc1ncccn1 34a_100000737577_100000703007 [0,1,0,0,0,0|3,0,0]=4 5002 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,1,0,0,0,0|2,0,0]=3 5003 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,1,0,0,0,0|2,0,0]=3 5004 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,1,0,0,0,0|2,0,0]=3 5005 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,1,0,0,0,0|2,0,0]=3 5006 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,1,0,0,0,0|2,0,0]=3 5007 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,1,0,0,0,0|2,0,0]=3 5008 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,1,0,0,0,0|3,0,0]=4 5009 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,1,0,0,0,0|3,0,0]=4 5010 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,1,0,0,0,0|3,0,0]=4 5011 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,1,0,0,0,0|3,0,0]=4 5012 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,1,0,0,0,0|3,0,0]=4 5013 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,1,0,0,0,0|3,0,0]=4 5014 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,1,0,0,0,0|2,0,0]=3 5015 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,1,0,0,0,0|2,0,0]=3 5016 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,1,0,0,0,0|2,0,0]=3 5017 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,1,0,0,0,0|2,0,0]=3 5018 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,1,0,0,0,0|2,0,0]=3 5019 B12R1.252 FC(F)CNCc1ccccn1 207a_100000765723_100000209966 [0,1,0,0,0,0|3,0,0]=4 5020 B12R1.252 FC(F)CNCc1ccccn1 270004a_100000765723_100000209966 [0,1,0,0,0,0|3,0,0]=4 5021 B12R1.252 FC(F)CNCc1ccccn1 34a_100000765723_100000721315 [0,1,0,0,0,0|3,0,0]=4 5022 B12R1.252 FC(F)CNCc1cccnc1 207a_100000765723_100000209961 [0,1,0,0,0,0|3,0,0]=4 5023 B12R1.252 FC(F)CNCc1cccnc1 270004a_100000765723_100000209961 [0,1,0,0,0,0|3,0,0]=4 5024 B12R1.252 FC(F)CNCc1cccnc1 34a_100000765723_100000733263 [0,1,0,0,0,0|3,0,0]=4 5025 B12R1.252 FC(F)CNCc1ccncc1 207a_100000765723_100000186114 [0,1,0,0,0,0|3,0,0]=4 5026 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,1,0,0,0,0|2,0,0]=3 5027 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,1,0,0,0,0|2,0,0]=3 5028 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,1,0,0,0,0|2,0,0]=3 5029 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,1,0,0,0,0|3,0,0]=4 5030 B12R1.252 FC(F)COCc1cccnc1 34a_100000743014_100000733263 [0,1,0,0,0,0|3,0,0]=4 5031 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,1,0,0,0,0|2,0,0]=3 5032 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,1,0,0,0,0|2,0,0]=3 5033 B12R1.252 FC(F)CSCc1ccccn1 62a_100000721315_100011934356 [0,1,0,0,0,0|3,0,0]=4 5034 B12R1.252 FC(F)CSCc1ccccn1 62a_100011934356_100000721315 [0,1,0,0,0,0|3,0,0]=4 5035 B12R1.252 FC(F)CSCc1cccnc1 62a_100000741622_100011934356 [0,1,0,0,0,0|3,0,0]=4 5036 B12R1.252 FC(F)CSCc1cccnc1 62a_100011934356_100000741622 [0,1,0,0,0,0|3,0,0]=4 5037 B12R1.252 FC(F)CSCc1ccncc1 62a_100011934356_100015193705 [0,1,0,0,0,0|3,0,0]=4 5038 B12R1.252 FC(F)CSCc1ccncc1 62a_100015193705_100011934356 [0,1,0,0,0,0|3,0,0]=4 5039 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,1,0,0,0,0|1,0,1]=3 5040 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,1,0,0,0,0|1,0,1]=3 5041 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,1,0,0,0,0|1,0,1]=3 5042 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,1,0,0,0,0|2,0,1]=4 5043 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,1,0,0,0,0|2,0,1]=4 5044 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,1,0,0,0,0|2,0,1]=4 5045 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,1,0,0,0,0|1,0,1]=3 5046 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,1,0,0,0,0|1,0,1]=3 5047 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,1,0,0,0,0|2,0,1]=4 5048 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,1,0,0,0,0|2,0,1]=4 5049 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,1,0,0,0,0|2,0,1]=4 5050 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,1,0,0,0,0|2,0,1]=4 5051 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,1,0,0,0,0|2,0,1]=4 5052 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,1,0,0,0,0|2,0,1]=4 5053 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,1,0,0,0,0|1,0,1]=3 5054 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,1,0,0,0,0|1,0,1]=3 5055 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,1,0,0,0,0|1,0,1]=3 5056 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,1,0,0,0,0|2,0,1]=4 5057 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,1,0,0,0,0|2,0,1]=4 5058 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,1,0,0,0,0|2,0,1]=4 5059 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,1,0,0,0,0|1,0,1]=3 5060 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,1,0,0,0,0|1,0,1]=3 5061 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,1,0,0,0,0|1,0,1]=3 5062 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,1,0,0,0,0|1,0,1]=3 5063 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,1,0,0,0,0|2,0,1]=4 5064 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,1,0,0,0,0|2,0,1]=4 5065 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,1,0,0,0,0|2,0,1]=4 5066 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,1,0,0,0,0|2,0,1]=4 5067 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,1,0,0,0,0|2,0,1]=4 5068 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,1,0,0,0,0|2,0,1]=4 5069 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,1,0,0,0,0|2,0,1]=4 5070 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,1,0,0,0,0|2,0,1]=4 5071 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,1,0,0,0,0|2,0,1]=4 5072 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,1,0,0,0,0|2,0,1]=4 5073 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,1,0,0,0,0|2,0,1]=4 5074 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,1,0,0,0,0|3,0,0]=4 5075 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,1,0,0,0,0|3,0,0]=4 5076 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,1,0,0,0,0|3,0,0]=4 5077 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,1,0,0,0,0|1,0,1]=3 5078 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,1,0,0,0,0|2,0,1]=4 5079 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,1,0,0,0,0|2,0,1]=4 5080 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,1,0,0,0,0|2,0,1]=4 5081 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,1,0,0,0,0|2,0,1]=4 5082 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,1,0,0,0,0|2,0,1]=4 5083 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,1,0,0,0,0|2,0,1]=4 5084 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,1,0,0,0,0|2,0,0]=3 5085 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,1,0,0,0,0|2,0,0]=3 5086 B12R1.267 BrCCOCc1cccnc1Br 34a_100000211926_100010140945 [0,1,0,0,0,0|3,0,0]=4 5087 B12R1.267 BrCCOCc1ncccc1Br 34a_100000211926_100025702911 [0,1,0,0,0,0|3,0,0]=4 5088 B12R1.267 C#CCCNc1ccccc1Br 34a_100000210017_100000688953 [0,1,0,0,0,0|2,0,1]=4 5089 B12R1.267 C#CCCNc1ccccc1C 34a_100015192222_100000688953 [0,1,0,0,0,0|2,0,1]=4 5090 B12R1.267 C#CCCNc1ccccc1Cl 34a_100000185783_100000688953 [0,1,0,0,0,0|2,0,1]=4 5091 B12R1.267 C#CCCNc1ccccc1F 34a_100000210422_100000688953 [0,1,0,0,0,0|2,0,1]=4 5092 B12R1.267 C#CCCNc1ccccc1I 34a_100000210053_100000688953 [0,1,0,0,0,0|2,0,1]=4 5093 B12R1.267 C#CCCNc1ccccc1O 34a_100000185747_100000688953 [0,1,0,0,0,0|2,0,1]=4 5094 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [0,1,0,0,0,0|2,0,1]=4 5095 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [0,1,0,0,0,0|2,0,1]=4 5096 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [0,1,0,0,0,0|2,0,1]=4 5097 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [0,1,0,0,0,0|2,0,1]=4 5098 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [0,1,0,0,0,0|2,0,1]=4 5099 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [0,1,0,0,0,0|2,0,1]=4 5100 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [0,1,0,0,0,0|2,0,1]=4 5101 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [0,1,0,0,0,0|2,0,1]=4 5102 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [0,1,0,0,0,0|2,0,1]=4 5103 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [0,1,0,0,0,0|2,0,1]=4 5104 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [0,1,0,0,0,0|2,0,1]=4 5105 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [0,1,0,0,0,0|2,0,1]=4 5106 B12R1.267 C#CCCSc1ccccc1Br 62a_100000688953_100000695589 [0,1,0,0,0,0|2,0,1]=4 5107 B12R1.267 C#CCCSc1ccccc1Br 62a_100000695589_100000688953 [0,1,0,0,0,0|2,0,1]=4 5108 B12R1.267 C#CCCSc1ccccc1C 62a_100000210755_100000688953 [0,1,0,0,0,0|2,0,1]=4 5109 B12R1.267 C#CCCSc1ccccc1C 62a_100000688953_100000210755 [0,1,0,0,0,0|2,0,1]=4 5110 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000688953_100000764095 [0,1,0,0,0,0|2,0,1]=4 5111 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000764095_100000688953 [0,1,0,0,0,0|2,0,1]=4 5112 B12R1.267 C#CCCSc1ccccc1F 62a_100000688953_100011215700 [0,1,0,0,0,0|2,0,1]=4 5113 B12R1.267 C#CCCSc1ccccc1F 62a_100011215700_100000688953 [0,1,0,0,0,0|2,0,1]=4 5114 B12R1.267 C#CCCSc1ccccc1N 62a_100000210017_100000688953 [0,1,0,0,0,0|2,0,1]=4 5115 B12R1.267 C#CCCSc1ccccc1N 62a_100000688953_100000210017 [0,1,0,0,0,0|2,0,1]=4 5116 B12R1.267 C#CCCSc1ccccc1O 62a_100000688953_100000739446 [0,1,0,0,0,0|2,0,1]=4 5117 B12R1.267 C#CCCSc1ccccc1O 62a_100000739446_100000688953 [0,1,0,0,0,0|2,0,1]=4 5118 B12R1.267 C#CCNCc1ccccc1Br 2230a_100000689332_100000038162 [0,1,0,0,0,0|2,0,1]=4 5119 B12R1.267 C#CCNCc1ccccc1Br 34a_100000212058_100000184730 [0,1,0,0,0,0|2,0,1]=4 5120 B12R1.267 C#CCNCc1ccccc1Br 34a_100000689332_100000184674 [0,1,0,0,0,0|2,0,1]=4 5121 B12R1.267 C#CCNCc1ccccc1C 34a_100000174972_100000184674 [0,1,0,0,0,0|2,0,1]=4 5122 B12R1.267 C#CCNCc1ccccc1C 34a_100000212058_100000211839 [0,1,0,0,0,0|2,0,1]=4 5123 B12R1.267 C#CCNCc1ccccc1Cl 2230a_100000174879_100000038162 [0,1,0,0,0,0|2,0,1]=4 5124 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000174879_100000184674 [0,1,0,0,0,0|2,0,1]=4 5125 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000212058_100000187162 [0,1,0,0,0,0|2,0,1]=4 5126 B12R1.267 C#CCNCc1ccccc1F 34a_100000174869_100000184674 [0,1,0,0,0,0|2,0,1]=4 5127 B12R1.267 C#CCNCc1ccccc1F 34a_100000212058_100000211605 [0,1,0,0,0,0|2,0,1]=4 5128 B12R1.267 C#CCNCc1ccccc1I 34a_100000212058_100011215278 [0,1,0,0,0,0|2,0,1]=4 5129 B12R1.267 C#CCNCc1ccccc1O 34a_100000185550_100000184674 [0,1,0,0,0,0|2,0,1]=4 5130 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [0,1,0,0,0,0|2,0,1]=4 5131 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [0,1,0,0,0,0|2,0,1]=4 5132 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [0,1,0,0,0,0|2,0,1]=4 5133 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [0,1,0,0,0,0|2,0,1]=4 5134 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [0,1,0,0,0,0|2,0,1]=4 5135 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [0,1,0,0,0,0|2,0,1]=4 5136 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [0,1,0,0,0,0|2,0,1]=4 5137 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [0,1,0,0,0,0|2,0,1]=4 5138 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [0,1,0,0,0,0|2,0,1]=4 5139 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [0,1,0,0,0,0|2,0,1]=4 5140 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [0,1,0,0,0,0|2,0,1]=4 5141 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [0,1,0,0,0,0|2,0,1]=4 5142 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [0,1,0,0,0,0|2,0,1]=4 5143 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [0,1,0,0,0,0|2,0,1]=4 5144 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [0,1,0,0,0,0|2,0,1]=4 5145 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [0,1,0,0,0,0|2,0,1]=4 5146 B12R1.267 C#CCSCc1ccccc1Br 62a_100000038162_100000184730 [0,1,0,0,0,0|2,0,1]=4 5147 B12R1.267 C#CCSCc1ccccc1C 62a_100000038162_100000211839 [0,1,0,0,0,0|2,0,1]=4 5148 B12R1.267 C#CCSCc1ccccc1Cl 62a_100000038162_100000187162 [0,1,0,0,0,0|2,0,1]=4 5149 B12R1.267 C#CCSCc1ccccc1F 62a_100000038162_100000211605 [0,1,0,0,0,0|2,0,1]=4 5150 B12R1.267 C#CCSCc1ccccc1I 62a_100000038162_100011216222 [0,1,0,0,0,0|2,0,1]=4 5151 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,1,0,0,0,0|2,0,1]=4 5152 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,1,0,0,0,0|2,0,1]=4 5153 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,1,0,0,0,0|2,0,1]=4 5154 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,1,0,0,0,0|2,0,1]=4 5155 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,1,0,0,0,0|2,0,1]=4 5156 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,1,0,0,0,0|2,0,1]=4 5157 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,1,0,0,0,0|2,0,1]=4 5158 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,1,0,0,0,0|2,0,1]=4 5159 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,1,0,0,0,0|2,0,1]=4 5160 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,1,0,0,0,0|2,0,1]=4 5161 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,1,0,0,0,0|2,0,1]=4 5162 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,1,0,0,0,0|2,0,1]=4 5163 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,1,0,0,0,0|2,0,1]=4 5164 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,1,0,0,0,0|2,0,1]=4 5165 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,1,0,0,0,0|2,0,1]=4 5166 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,1,0,0,0,0|2,0,1]=4 5167 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,1,0,0,0,0|2,0,1]=4 5168 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,1,0,0,0,0|2,0,1]=4 5169 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,1,0,0,0,0|2,0,1]=4 5170 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,1,0,0,0,0|2,0,1]=4 5171 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,1,0,0,0,0|2,0,1]=4 5172 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,1,0,0,0,0|2,0,1]=4 5173 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,1,0,0,0,0|2,0,1]=4 5174 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,1,0,0,0,0|2,0,1]=4 5175 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,1,0,0,0,0|2,0,1]=4 5176 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,1,0,0,0,0|2,0,1]=4 5177 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,1,0,0,0,0|2,0,1]=4 5178 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,1,0,0,0,0|2,0,1]=4 5179 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,1,0,0,0,0|2,0,1]=4 5180 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,1,0,0,0,0|2,0,1]=4 5181 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [0,1,0,0,0,0|2,0,1]=4 5182 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [0,1,0,0,0,0|2,0,1]=4 5183 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [0,1,0,0,0,0|2,0,1]=4 5184 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [0,1,0,0,0,0|2,0,1]=4 5185 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,1,0,0,0,0|2,0,1]=4 5186 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,1,0,0,0,0|2,0,1]=4 5187 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,1,0,0,0,0|2,0,1]=4 5188 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [0,1,0,0,0,0|2,0,1]=4 5189 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [0,1,0,0,0,0|2,0,1]=4 5190 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [0,1,0,0,0,0|2,0,1]=4 5191 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [0,1,0,0,0,0|2,0,1]=4 5192 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [0,1,0,0,0,0|2,0,1]=4 5193 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [0,1,0,0,0,0|2,0,1]=4 5194 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [0,1,0,0,0,0|2,0,1]=4 5195 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [0,1,0,0,0,0|2,0,1]=4 5196 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [0,1,0,0,0,0|2,0,1]=4 5197 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [0,1,0,0,0,0|2,0,1]=4 5198 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,1,0,0,0,0|2,0,1]=4 5199 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,1,0,0,0,0|2,0,1]=4 5200 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,1,0,0,0,0|2,0,1]=4 5201 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,1,0,0,0,0|2,0,1]=4 5202 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,1,0,0,0,0|2,0,1]=4 5203 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,1,0,0,0,0|2,0,1]=4 5204 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,1,0,0,0,0|2,0,1]=4 5205 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,1,0,0,0,0|2,0,1]=4 5206 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,1,0,0,0,0|2,0,1]=4 5207 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,1,0,0,0,0|2,0,1]=4 5208 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,1,0,0,0,0|2,0,1]=4 5209 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,1,0,0,0,0|2,0,1]=4 5210 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,1,0,0,0,0|2,0,1]=4 5211 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,1,0,0,0,0|2,0,1]=4 5212 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,1,0,0,0,0|2,0,1]=4 5213 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,1,0,0,0,0|2,0,1]=4 5214 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [0,1,0,0,0,0|2,0,1]=4 5215 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [0,1,0,0,0,0|2,0,1]=4 5216 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,1,0,0,0,0|2,0,1]=4 5217 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,1,0,0,0,0|2,0,1]=4 5218 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [0,1,0,0,0,0|2,0,1]=4 5219 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [0,1,0,0,0,0|2,0,1]=4 5220 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [0,1,0,0,0,0|2,0,1]=4 5221 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [0,1,0,0,0,0|2,0,1]=4 5222 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [0,1,0,0,0,0|2,0,1]=4 5223 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [0,1,0,0,0,0|2,0,1]=4 5224 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [0,1,0,0,0,0|1,0,2]=4 5225 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [0,1,0,0,0,0|1,0,2]=4 5226 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [0,1,0,0,0,0|1,0,2]=4 5227 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [0,1,0,0,0,0|1,0,2]=4 5228 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [0,1,0,0,0,0|1,0,2]=4 5229 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [0,1,0,0,0,0|1,0,2]=4 5230 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [0,1,0,0,0,0|3,0,0]=4 5231 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,1,0,0,0,0|2,0,0]=3 5232 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,1,0,0,0,0|2,0,0]=3 5233 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,1,0,0,0,0|2,0,0]=3 5234 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,1,0,0,0,0|2,0,0]=3 5235 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,1,0,0,0,0|2,0,0]=3 5236 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,1,0,0,0,0|2,0,0]=3 5237 B12R1.267 CCCCNc1ccncc1Br 27a_100000102301_100000726257 [0,1,0,0,0,0|3,0,0]=4 5238 B12R1.267 CCCCNc1ccncc1C 27a_100000102301_100000765111 [0,1,0,0,0,0|3,0,0]=4 5239 B12R1.267 CCCCNc1ccncc1F 27a_100000102301_100000035921 [0,1,0,0,0,0|3,0,0]=4 5240 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [0,1,0,0,0,0|3,0,0]=4 5241 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,1,0,0,0,0|3,0,0]=4 5242 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,1,0,0,0,0|2,0,0]=3 5243 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,1,0,0,0,0|2,0,0]=3 5244 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,1,0,0,0,0|2,0,0]=3 5245 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,1,0,0,0,0|2,0,0]=3 5246 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,1,0,0,0,0|2,0,0]=3 5247 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,1,0,0,0,0|2,0,0]=3 5248 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,1,0,0,0,0|2,0,0]=3 5249 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,1,0,0,0,0|2,0,0]=3 5250 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,1,0,0,0,0|2,0,0]=3 5251 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,1,0,0,0,0|2,0,0]=3 5252 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,1,0,0,0,0|2,0,0]=3 5253 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,1,0,0,0,0|2,0,0]=3 5254 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,1,0,0,0,0|2,0,0]=3 5255 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,1,0,0,0,0|3,0,0]=4 5256 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,1,0,0,0,0|3,0,0]=4 5257 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,1,0,0,0,0|3,0,0]=4 5258 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,1,0,0,0,0|3,0,0]=4 5259 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,1,0,0,0,0|3,0,0]=4 5260 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,1,0,0,0,0|3,0,0]=4 5261 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,1,0,0,0,0|3,0,0]=4 5262 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,1,0,0,0,0|3,0,0]=4 5263 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,1,0,0,0,0|3,0,0]=4 5264 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,1,0,0,0,0|3,0,0]=4 5265 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,1,0,0,0,0|3,0,0]=4 5266 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,1,0,0,0,0|3,0,0]=4 5267 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,1,0,0,0,0|3,0,0]=4 5268 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,1,0,0,0,0|3,0,0]=4 5269 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [0,1,0,0,0,0|3,0,0]=4 5270 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [0,1,0,0,0,0|3,0,0]=4 5271 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [0,1,0,0,0,0|3,0,0]=4 5272 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [0,1,0,0,0,0|3,0,0]=4 5273 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,1,0,0,0,0|3,0,0]=4 5274 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,1,0,0,0,0|3,0,0]=4 5275 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,1,0,0,0,0|3,0,0]=4 5276 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,1,0,0,0,0|3,0,0]=4 5277 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,1,0,0,0,0|3,0,0]=4 5278 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,1,0,0,0,0|3,0,0]=4 5279 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,1,0,0,0,0|3,0,0]=4 5280 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,1,0,0,0,0|3,0,0]=4 5281 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,1,0,0,0,0|3,0,0]=4 5282 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [0,1,0,0,0,0|3,0,0]=4 5283 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [0,1,0,0,0,0|3,0,0]=4 5284 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_100000210211_200012280681 [0,1,0,0,0,0|3,0,0]=4 5285 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_200012280681_100000210210 [0,1,0,0,0,0|3,0,0]=4 5286 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [0,1,0,0,0,0|3,0,0]=4 5287 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [0,1,0,0,0,0|3,0,0]=4 5288 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,1,0,0,0,0|2,0,0]=3 5289 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,1,0,0,0,0|2,0,0]=3 5290 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,1,0,0,0,0|2,0,0]=3 5291 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,1,0,0,0,0|2,0,0]=3 5292 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,1,0,0,0,0|2,0,0]=3 5293 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,1,0,0,0,0|2,0,0]=3 5294 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,1,0,0,0,0|2,0,0]=3 5295 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,1,0,0,0,0|2,0,0]=3 5296 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,1,0,0,0,0|2,0,0]=3 5297 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,1,0,0,0,0|2,0,0]=3 5298 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,1,0,0,0,0|2,0,0]=3 5299 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,1,0,0,0,0|2,0,0]=3 5300 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [0,1,0,0,0,0|3,0,0]=4 5301 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [0,1,0,0,0,0|3,0,0]=4 5302 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [0,1,0,0,0,0|3,0,0]=4 5303 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [0,1,0,0,0,0|3,0,0]=4 5304 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [0,1,0,0,0,0|3,0,0]=4 5305 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [0,1,0,0,0,0|3,0,0]=4 5306 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [0,1,0,0,0,0|3,0,0]=4 5307 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [0,1,0,0,0,0|3,0,0]=4 5308 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [0,1,0,0,0,0|3,0,0]=4 5309 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [0,1,0,0,0,0|3,0,0]=4 5310 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,1,0,0,0,0|3,0,0]=4 5311 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,1,0,0,0,0|3,0,0]=4 5312 B12R1.267 CCCCSc1ccncc1Br 62a_100000210211_100000726257 [0,1,0,0,0,0|3,0,0]=4 5313 B12R1.267 CCCCSc1ccncc1Br 62a_100000726257_100000210210 [0,1,0,0,0,0|3,0,0]=4 5314 B12R1.267 CCCCSc1ccncc1C 62a_100000210211_100000765111 [0,1,0,0,0,0|3,0,0]=4 5315 B12R1.267 CCCCSc1ccncc1C 62a_100000765111_100000210210 [0,1,0,0,0,0|3,0,0]=4 5316 B12R1.267 CCCCSc1ccncc1Cl 62a_100000210211_100000708259 [0,1,0,0,0,0|3,0,0]=4 5317 B12R1.267 CCCCSc1ccncc1Cl 62a_100000708259_100000210210 [0,1,0,0,0,0|3,0,0]=4 5318 B12R1.267 CCCCSc1ccncc1F 62a_100000047030_100000210210 [0,1,0,0,0,0|3,0,0]=4 5319 B12R1.267 CCCCSc1ccncc1F 62a_100000210211_100000047030 [0,1,0,0,0,0|3,0,0]=4 5320 B12R1.267 CCCCSc1ccncc1N 62a_100000210211_100000756074 [0,1,0,0,0,0|3,0,0]=4 5321 B12R1.267 CCCCSc1ccncc1N 62a_100000756074_100000210210 [0,1,0,0,0,0|3,0,0]=4 5322 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [0,1,0,0,0,0|3,0,0]=4 5323 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [0,1,0,0,0,0|3,0,0]=4 5324 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [0,1,0,0,0,0|3,0,0]=4 5325 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [0,1,0,0,0,0|3,0,0]=4 5326 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [0,1,0,0,0,0|3,0,0]=4 5327 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [0,1,0,0,0,0|3,0,0]=4 5328 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [0,1,0,0,0,0|3,0,0]=4 5329 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [0,1,0,0,0,0|3,0,0]=4 5330 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [0,1,0,0,0,0|3,0,0]=4 5331 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [0,1,0,0,0,0|3,0,0]=4 5332 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [0,1,0,0,0,0|3,0,0]=4 5333 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [0,1,0,0,0,0|3,0,0]=4 5334 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [0,1,0,0,0,0|3,0,0]=4 5335 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [0,1,0,0,0,0|3,0,0]=4 5336 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [0,1,0,0,0,0|3,0,0]=4 5337 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [0,1,0,0,0,0|3,0,0]=4 5338 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [0,1,0,0,0,0|3,0,0]=4 5339 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [0,1,0,0,0,0|3,0,0]=4 5340 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [0,1,0,0,0,0|3,0,0]=4 5341 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [0,1,0,0,0,0|3,0,0]=4 5342 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [0,1,0,0,0,0|3,0,0]=4 5343 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [0,1,0,0,0,0|3,0,0]=4 5344 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,1,0,0,0,0|3,0,0]=4 5345 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,1,0,0,0,0|3,0,0]=4 5346 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,1,0,0,0,0|2,0,0]=3 5347 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,1,0,0,0,0|2,0,0]=3 5348 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,1,0,0,0,0|2,0,0]=3 5349 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,1,0,0,0,0|2,0,0]=3 5350 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,1,0,0,0,0|2,0,0]=3 5351 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,1,0,0,0,0|2,0,0]=3 5352 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,1,0,0,0,0|2,0,0]=3 5353 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,1,0,0,0,0|2,0,0]=3 5354 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,1,0,0,0,0|2,0,0]=3 5355 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,1,0,0,0,0|2,0,0]=3 5356 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,1,0,0,0,0|2,0,0]=3 5357 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,1,0,0,0,0|2,0,0]=3 5358 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,1,0,0,0,0|2,0,0]=3 5359 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,1,0,0,0,0|2,0,0]=3 5360 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,1,0,0,0,0|2,0,0]=3 5361 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,1,0,0,0,0|2,0,0]=3 5362 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,1,0,0,0,0|2,0,0]=3 5363 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,1,0,0,0,0|2,0,0]=3 5364 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [0,1,0,0,0,0|3,0,0]=4 5365 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [0,1,0,0,0,0|3,0,0]=4 5366 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [0,1,0,0,0,0|3,0,0]=4 5367 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [0,1,0,0,0,0|3,0,0]=4 5368 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [0,1,0,0,0,0|3,0,0]=4 5369 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [0,1,0,0,0,0|3,0,0]=4 5370 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [0,1,0,0,0,0|3,0,0]=4 5371 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,1,0,0,0,0|3,0,0]=4 5372 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,1,0,0,0,0|3,0,0]=4 5373 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [0,1,0,0,0,0|3,0,0]=4 5374 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [0,1,0,0,0,0|3,0,0]=4 5375 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [0,1,0,0,0,0|3,0,0]=4 5376 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [0,1,0,0,0,0|3,0,0]=4 5377 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [0,1,0,0,0,0|3,0,0]=4 5378 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [0,1,0,0,0,0|3,0,0]=4 5379 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [0,1,0,0,0,0|3,0,0]=4 5380 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [0,1,0,0,0,0|3,0,0]=4 5381 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,1,0,0,0,0|3,0,0]=4 5382 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,1,0,0,0,0|3,0,0]=4 5383 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,1,0,0,0,0|3,0,0]=4 5384 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,1,0,0,0,0|3,0,0]=4 5385 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,1,0,0,0,0|3,0,0]=4 5386 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,1,0,0,0,0|3,0,0]=4 5387 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,1,0,0,0,0|3,0,0]=4 5388 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,1,0,0,0,0|3,0,0]=4 5389 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,1,0,0,0,0|3,0,0]=4 5390 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,1,0,0,0,0|3,0,0]=4 5391 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,1,0,0,0,0|3,0,0]=4 5392 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,1,0,0,0,0|2,0,0]=3 5393 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,1,0,0,0,0|2,0,0]=3 5394 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,1,0,0,0,0|2,0,0]=3 5395 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,1,0,0,0,0|2,0,0]=3 5396 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,1,0,0,0,0|2,0,0]=3 5397 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,1,0,0,0,0|2,0,0]=3 5398 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,1,0,0,0,0|2,0,0]=3 5399 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,1,0,0,0,0|2,0,0]=3 5400 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,1,0,0,0,0|2,0,0]=3 5401 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,1,0,0,0,0|2,0,0]=3 5402 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,1,0,0,0,0|2,0,0]=3 5403 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,1,0,0,0,0|2,0,0]=3 5404 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,1,0,0,0,0|2,0,0]=3 5405 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,1,0,0,0,0|2,0,0]=3 5406 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,1,0,0,0,0|2,0,0]=3 5407 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,1,0,0,0,0|2,0,0]=3 5408 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,1,0,0,0,0|3,0,0]=4 5409 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,1,0,0,0,0|3,0,0]=4 5410 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,1,0,0,0,0|3,0,0]=4 5411 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,1,0,0,0,0|3,0,0]=4 5412 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,1,0,0,0,0|3,0,0]=4 5413 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,1,0,0,0,0|3,0,0]=4 5414 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,1,0,0,0,0|3,0,0]=4 5415 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,1,0,0,0,0|3,0,0]=4 5416 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,1,0,0,0,0|3,0,0]=4 5417 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,1,0,0,0,0|3,0,0]=4 5418 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,1,0,0,0,0|3,0,0]=4 5419 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,1,0,0,0,0|3,0,0]=4 5420 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [0,1,0,0,0,0|3,0,0]=4 5421 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [0,1,0,0,0,0|3,0,0]=4 5422 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [0,1,0,0,0,0|3,0,0]=4 5423 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,1,0,0,0,0|3,0,0]=4 5424 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,1,0,0,0,0|3,0,0]=4 5425 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,1,0,0,0,0|3,0,0]=4 5426 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,1,0,0,0,0|3,0,0]=4 5427 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,1,0,0,0,0|3,0,0]=4 5428 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,1,0,0,0,0|3,0,0]=4 5429 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,1,0,0,0,0|3,0,0]=4 5430 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,1,0,0,0,0|3,0,0]=4 5431 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,1,0,0,0,0|3,0,0]=4 5432 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,1,0,0,0,0|3,0,0]=4 5433 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,1,0,0,0,0|3,0,0]=4 5434 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,1,0,0,0,0|3,0,0]=4 5435 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,1,0,0,0,0|2,0,0]=3 5436 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,1,0,0,0,0|2,0,0]=3 5437 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,1,0,0,0,0|2,0,0]=3 5438 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,1,0,0,0,0|2,0,0]=3 5439 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,1,0,0,0,0|2,0,0]=3 5440 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,1,0,0,0,0|2,0,0]=3 5441 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,1,0,0,0,0|2,0,0]=3 5442 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,1,0,0,0,0|2,0,0]=3 5443 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,1,0,0,0,0|2,0,0]=3 5444 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,1,0,0,0,0|2,0,0]=3 5445 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,1,0,0,0,0|2,0,0]=3 5446 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [0,1,0,0,0,0|3,0,0]=4 5447 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [0,1,0,0,0,0|3,0,0]=4 5448 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [0,1,0,0,0,0|3,0,0]=4 5449 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [0,1,0,0,0,0|3,0,0]=4 5450 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [0,1,0,0,0,0|3,0,0]=4 5451 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [0,1,0,0,0,0|3,0,0]=4 5452 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [0,1,0,0,0,0|3,0,0]=4 5453 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [0,1,0,0,0,0|3,0,0]=4 5454 B12R1.267 CCCSCc1ccncc1C 62a_100000210303_100020672808 [0,1,0,0,0,0|3,0,0]=4 5455 B12R1.267 CCCSCc1ccncc1C 62a_100020672808_100000210303 [0,1,0,0,0,0|3,0,0]=4 5456 B12R1.267 CCCSCc1ccncc1Cl 62a_100000210303_100000763264 [0,1,0,0,0,0|3,0,0]=4 5457 B12R1.267 CCCSCc1ccncc1Cl 62a_100000763264_100000210303 [0,1,0,0,0,0|3,0,0]=4 5458 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [0,1,0,0,0,0|3,0,0]=4 5459 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [0,1,0,0,0,0|3,0,0]=4 5460 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [0,1,0,0,0,0|3,0,0]=4 5461 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [0,1,0,0,0,0|3,0,0]=4 5462 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [0,1,0,0,0,0|3,0,0]=4 5463 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [0,1,0,0,0,0|3,0,0]=4 5464 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [0,1,0,0,0,0|3,0,0]=4 5465 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [0,1,0,0,0,0|3,0,0]=4 5466 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [0,1,0,0,0,0|3,0,0]=4 5467 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [0,1,0,0,0,0|3,0,0]=4 5468 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,1,0,0,0,0|3,0,0]=4 5469 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,1,0,0,0,0|3,0,0]=4 5470 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,1,0,0,0,0|2,0,0]=3 5471 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,1,0,0,0,0|2,0,0]=3 5472 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,1,0,0,0,0|2,0,0]=3 5473 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,1,0,0,0,0|2,0,0]=3 5474 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,1,0,0,0,0|2,0,0]=3 5475 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,1,0,0,0,0|2,0,0]=3 5476 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,1,0,0,0,0|2,0,0]=3 5477 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,1,0,0,0,0|2,0,0]=3 5478 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,1,0,0,0,0|2,0,0]=3 5479 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,1,0,0,0,0|2,0,0]=3 5480 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,1,0,0,0,0|2,0,0]=3 5481 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,1,0,0,0,0|2,0,0]=3 5482 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,1,0,0,0,0|2,0,0]=3 5483 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,1,0,0,0,0|2,0,0]=3 5484 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,1,0,0,0,0|3,0,0]=4 5485 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,1,0,0,0,0|2,0,0]=3 5486 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,1,0,0,0,0|2,0,0]=3 5487 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,1,0,0,0,0|2,0,0]=3 5488 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 5489 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,1,0,0,0,0|2,0,0]=3 5490 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 5491 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,1,0,0,0,0|2,0,0]=3 5492 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,1,0,0,0,0|2,0,0]=3 5493 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,1,0,0,0,0|2,0,0]=3 5494 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,1,0,0,0,0|2,0,0]=3 5495 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,1,0,0,0,0|2,0,0]=3 5496 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,1,0,0,0,0|2,0,0]=3 5497 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,1,0,0,0,0|2,0,0]=3 5498 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,1,0,0,0,0|2,0,0]=3 5499 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,1,0,0,0,0|2,0,0]=3 5500 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,1,0,0,0,0|2,0,0]=3 5501 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [0,1,0,0,0,0|3,0,0]=4 5502 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [0,1,0,0,0,0|3,0,0]=4 5503 B12R1.267 CCOCSc1ccccc1Br 62a_100000695589_100000739092 [0,1,0,0,0,0|3,0,0]=4 5504 B12R1.267 CCOCSc1ccccc1Br 62a_100000739092_100000695589 [0,1,0,0,0,0|3,0,0]=4 5505 B12R1.267 CCOCSc1ccccc1C 62a_100000210755_100000739092 [0,1,0,0,0,0|3,0,0]=4 5506 B12R1.267 CCOCSc1ccccc1C 62a_100000739092_100000210755 [0,1,0,0,0,0|3,0,0]=4 5507 B12R1.267 CCOCSc1ccccc1Cl 62a_100000739092_100000764095 [0,1,0,0,0,0|3,0,0]=4 5508 B12R1.267 CCOCSc1ccccc1Cl 62a_100000764095_100000739092 [0,1,0,0,0,0|3,0,0]=4 5509 B12R1.267 CCOCSc1ccccc1F 62a_100000739092_100011215700 [0,1,0,0,0,0|3,0,0]=4 5510 B12R1.267 CCOCSc1ccccc1F 62a_100011215700_100000739092 [0,1,0,0,0,0|3,0,0]=4 5511 B12R1.267 CCOCSc1ccccc1N 62a_100000210017_100000739092 [0,1,0,0,0,0|3,0,0]=4 5512 B12R1.267 CCOCSc1ccccc1N 62a_100000739092_100000210017 [0,1,0,0,0,0|3,0,0]=4 5513 B12R1.267 CCOCSc1ccccc1O 62a_100000739092_100000739446 [0,1,0,0,0,0|3,0,0]=4 5514 B12R1.267 CCOCSc1ccccc1O 62a_100000739446_100000739092 [0,1,0,0,0,0|3,0,0]=4 5515 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,1,0,0,0,0|2,0,0]=3 5516 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,1,0,0,0,0|2,0,0]=3 5517 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,1,0,0,0,0|2,0,0]=3 5518 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,1,0,0,0,0|2,0,0]=3 5519 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,1,0,0,0,0|2,0,0]=3 5520 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,1,0,0,0,0|2,0,0]=3 5521 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,1,0,0,0,0|2,0,0]=3 5522 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,1,0,0,0,0|2,0,0]=3 5523 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,1,0,0,0,0|2,0,0]=3 5524 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,1,0,0,0,0|2,0,0]=3 5525 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,1,0,0,0,0|2,0,0]=3 5526 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,1,0,0,0,0|2,0,0]=3 5527 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,1,0,0,0,0|2,0,0]=3 5528 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,1,0,0,0,0|2,0,0]=3 5529 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,1,0,0,0,0|2,0,0]=3 5530 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,1,0,0,0,0|3,0,0]=4 5531 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,1,0,0,0,0|3,0,0]=4 5532 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,1,0,0,0,0|3,0,0]=4 5533 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,1,0,0,0,0|3,0,0]=4 5534 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,1,0,0,0,0|3,0,0]=4 5535 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,1,0,0,0,0|3,0,0]=4 5536 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,1,0,0,0,0|3,0,0]=4 5537 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,1,0,0,0,0|3,0,0]=4 5538 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,1,0,0,0,0|3,0,0]=4 5539 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,1,0,0,0,0|3,0,0]=4 5540 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,1,0,0,0,0|3,0,0]=4 5541 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,1,0,0,0,0|3,0,0]=4 5542 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,1,0,0,0,0|3,0,0]=4 5543 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,1,0,0,0,0|3,0,0]=4 5544 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,1,0,0,0,0|3,0,0]=4 5545 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,1,0,0,0,0|3,0,0]=4 5546 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,1,0,0,0,0|3,0,0]=4 5547 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,1,0,0,0,0|2,0,0]=3 5548 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,1,0,0,0,0|2,0,0]=3 5549 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,1,0,0,0,0|2,0,0]=3 5550 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,1,0,0,0,0|2,0,0]=3 5551 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,1,0,0,0,0|2,0,0]=3 5552 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,1,0,0,0,0|2,0,0]=3 5553 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,1,0,0,0,0|2,0,0]=3 5554 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [0,1,0,0,0,0|3,0,0]=4 5555 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [0,1,0,0,0,0|3,0,0]=4 5556 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [0,1,0,0,0,0|3,0,0]=4 5557 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [0,1,0,0,0,0|3,0,0]=4 5558 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [0,1,0,0,0,0|3,0,0]=4 5559 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [0,1,0,0,0,0|3,0,0]=4 5560 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [0,1,0,0,0,0|3,0,0]=4 5561 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [0,1,0,0,0,0|3,0,0]=4 5562 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,1,0,0,0,0|3,0,0]=4 5563 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,1,0,0,0,0|3,0,0]=4 5564 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,1,0,0,0,0|3,0,0]=4 5565 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,1,0,0,0,0|3,0,0]=4 5566 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,1,0,0,0,0|3,0,0]=4 5567 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,1,0,0,0,0|3,0,0]=4 5568 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,1,0,0,0,0|3,0,0]=4 5569 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,1,0,0,0,0|3,0,0]=4 5570 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,1,0,0,0,0|3,0,0]=4 5571 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,1,0,0,0,0|3,0,0]=4 5572 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,1,0,0,0,0|3,0,0]=4 5573 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,1,0,0,0,0|3,0,0]=4 5574 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,1,0,0,0,0|3,0,0]=4 5575 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,1,0,0,0,0|3,0,0]=4 5576 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,1,0,0,0,0|3,0,0]=4 5577 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,1,0,0,0,0|3,0,0]=4 5578 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,1,0,0,0,0|3,0,0]=4 5579 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,1,0,0,0,0|3,0,0]=4 5580 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,1,0,0,0,0|3,0,0]=4 5581 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,1,0,0,0,0|3,0,0]=4 5582 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,1,0,0,0,0|3,0,0]=4 5583 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,1,0,0,0,0|3,0,0]=4 5584 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,1,0,0,0,0|3,0,0]=4 5585 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [0,1,0,0,0,0|3,0,0]=4 5586 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [0,1,0,0,0,0|3,0,0]=4 5587 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [0,1,0,0,0,0|3,0,0]=4 5588 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [0,1,0,0,0,0|3,0,0]=4 5589 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [0,1,0,0,0,0|3,0,0]=4 5590 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [0,1,0,0,0,0|3,0,0]=4 5591 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [0,1,0,0,0,0|3,0,0]=4 5592 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [0,1,0,0,0,0|3,0,0]=4 5593 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [0,1,0,0,0,0|3,0,0]=4 5594 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [0,1,0,0,0,0|3,0,0]=4 5595 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [0,1,0,0,0,0|3,0,0]=4 5596 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [0,1,0,0,0,0|3,0,0]=4 5597 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [0,1,0,0,0,0|3,0,0]=4 5598 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [0,1,0,0,0,0|3,0,0]=4 5599 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [0,1,0,0,0,0|3,0,0]=4 5600 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [0,1,0,0,0,0|3,0,0]=4 5601 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [0,1,0,0,0,0|3,0,0]=4 5602 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [0,1,0,0,0,0|3,0,0]=4 5603 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [0,1,0,0,0,0|3,0,0]=4 5604 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,1,0,0,0,0|3,0,0]=4 5605 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,1,0,0,0,0|3,0,0]=4 5606 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,1,0,0,0,0|3,0,0]=4 5607 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,1,0,0,0,0|3,0,0]=4 5608 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,1,0,0,0,0|3,0,0]=4 5609 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,1,0,0,0,0|3,0,0]=4 5610 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,1,0,0,0,0|3,0,0]=4 5611 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,1,0,0,0,0|3,0,0]=4 5612 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,1,0,0,0,0|3,0,0]=4 5613 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,1,0,0,0,0|3,0,0]=4 5614 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,1,0,0,0,0|3,0,0]=4 5615 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,1,0,0,0,0|3,0,0]=4 5616 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,1,0,0,0,0|2,0,0]=3 5617 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,1,0,0,0,0|2,0,0]=3 5618 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [0,1,0,0,0,0|3,0,0]=4 5619 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [0,1,0,0,0,0|3,0,0]=4 5620 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [0,1,0,0,0,0|3,0,0]=4 5621 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [0,1,0,0,0,0|3,0,0]=4 5622 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [0,1,0,0,0,0|3,0,0]=4 5623 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [0,1,0,0,0,0|3,0,0]=4 5624 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,1,0,0,0,0|3,0,0]=4 5625 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,1,0,0,0,0|3,0,0]=4 5626 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,1,0,0,0,0|3,0,0]=4 5627 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,1,0,0,0,0|3,0,0]=4 5628 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,1,0,0,0,0|3,0,0]=4 5629 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,1,0,0,0,0|3,0,0]=4 5630 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,1,0,0,0,0|3,0,0]=4 5631 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,1,0,0,0,0|3,0,0]=4 5632 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,1,0,0,0,0|3,0,0]=4 5633 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,1,0,0,0,0|3,0,0]=4 5634 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,1,0,0,0,0|3,0,0]=4 5635 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,1,0,0,0,0|3,0,0]=4 5636 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,1,0,0,0,0|3,0,0]=4 5637 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,1,0,0,0,0|3,0,0]=4 5638 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,1,0,0,0,0|3,0,0]=4 5639 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,1,0,0,0,0|3,0,0]=4 5640 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,1,0,0,0,0|3,0,0]=4 5641 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,1,0,0,0,0|3,0,0]=4 5642 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [0,1,0,0,0,0|3,0,0]=4 5643 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [0,1,0,0,0,0|3,0,0]=4 5644 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [0,1,0,0,0,0|3,0,0]=4 5645 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [0,1,0,0,0,0|3,0,0]=4 5646 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [0,1,0,0,0,0|3,0,0]=4 5647 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [0,1,0,0,0,0|3,0,0]=4 5648 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [0,1,0,0,0,0|3,0,0]=4 5649 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [0,1,0,0,0,0|3,0,0]=4 5650 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [0,1,0,0,0,0|3,0,0]=4 5651 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [0,1,0,0,0,0|3,0,0]=4 5652 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [0,1,0,0,0,0|3,0,0]=4 5653 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [0,1,0,0,0,0|3,0,0]=4 5654 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,1,0,0,0,0|3,0,0]=4 5655 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,1,0,0,0,0|3,0,0]=4 5656 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,1,0,0,0,0|3,0,0]=4 5657 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,1,0,0,0,0|3,0,0]=4 5658 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,1,0,0,0,0|3,0,0]=4 5659 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,1,0,0,0,0|3,0,0]=4 5660 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,1,0,0,0,0|3,0,0]=4 5661 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,1,0,0,0,0|3,0,0]=4 5662 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,1,0,0,0,0|3,0,0]=4 5663 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,1,0,0,0,0|3,0,0]=4 5664 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,1,0,0,0,0|3,0,0]=4 5665 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,1,0,0,0,0|3,0,0]=4 5666 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,1,0,0,0,0|3,0,0]=4 5667 B12R1.267 CSCSCc1ccccc1Br 62a_100000184730_100011218213 [0,1,0,0,0,0|3,0,0]=4 5668 B12R1.267 CSCSCc1ccccc1Br 62a_100011218213_100000184730 [0,1,0,0,0,0|3,0,0]=4 5669 B12R1.267 CSCSCc1ccccc1C 62a_100000211839_100011218213 [0,1,0,0,0,0|3,0,0]=4 5670 B12R1.267 CSCSCc1ccccc1C 62a_100011218213_100000211839 [0,1,0,0,0,0|3,0,0]=4 5671 B12R1.267 CSCSCc1ccccc1Cl 62a_100000187162_100011218213 [0,1,0,0,0,0|3,0,0]=4 5672 B12R1.267 CSCSCc1ccccc1Cl 62a_100011218213_100000187162 [0,1,0,0,0,0|3,0,0]=4 5673 B12R1.267 CSCSCc1ccccc1F 62a_100000211605_100011218213 [0,1,0,0,0,0|3,0,0]=4 5674 B12R1.267 CSCSCc1ccccc1F 62a_100011218213_100000211605 [0,1,0,0,0,0|3,0,0]=4 5675 B12R1.267 CSCSCc1ccccc1I 62a_100011216222_100011218213 [0,1,0,0,0,0|3,0,0]=4 5676 B12R1.267 CSCSCc1ccccc1I 62a_100011218213_100011216222 [0,1,0,0,0,0|3,0,0]=4 5677 B12R1.267 C[n+]1ccccc1SCCCF 62a_100011934791_100000212160 [0,1,0,0,0,0|3,0,0]=4 5678 B12R1.267 C[n+]1ccccc1SCCCO 62a_100011215043_100000212160 [0,1,0,0,0,0|3,0,0]=4 5679 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,1,0,0,0,0|2,0,0]=3 5680 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 5681 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 5682 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,1,0,0,0,0|2,0,0]=3 5683 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,1,0,0,0,0|2,0,0]=3 5684 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,1,0,0,0,0|2,0,1]=4 5685 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,1,0,0,0,0|2,0,0]=3 5686 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,1,0,0,0,0|2,0,0]=3 5687 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,1,0,0,0,0|2,0,0]=3 5688 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,1,0,0,0,0|2,0,0]=3 5689 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,1,0,0,0,0|2,0,0]=3 5690 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,1,0,0,0,0|2,0,0]=3 5691 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,1,0,0,0,0|2,0,0]=3 5692 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [0,1,0,0,0,0|1,0,2]=4 5693 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,1,0,0,0,0|2,0,1]=4 5694 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,1,0,0,0,0|2,0,1]=4 5695 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,1,0,0,0,0|2,0,0]=3 5696 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,1,0,0,0,0|2,0,0]=3 5697 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,1,0,0,0,0|2,0,0]=3 5698 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,1,0,0,0,0|1,0,0]=2 5699 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,1,0,0,0,0|2,0,0]=3 5700 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,1,0,0,0,0|2,0,0]=3 5701 B12R1.267 Cc1ccccc1CSCC#N 62a_100000211839_100011215382 [0,1,0,0,0,0|1,0,2]=4 5702 B12R1.267 Cc1ccccc1CSCC#N 62a_100011215382_100000211839 [0,1,0,0,0,0|1,0,2]=4 5703 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,1,0,0,0,0|2,0,1]=4 5704 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,1,0,0,0,0|2,0,1]=4 5705 B12R1.267 Cc1ccccc1CSCCF 62a_100000211839_100011217306 [0,1,0,0,0,0|2,0,0]=3 5706 B12R1.267 Cc1ccccc1CSCCF 62a_100011217306_100000211839 [0,1,0,0,0,0|2,0,0]=3 5707 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [0,1,0,0,0,0|2,0,0]=3 5708 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [0,1,0,0,0,0|2,0,0]=3 5709 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [0,1,0,0,0,0|2,0,0]=3 5710 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [0,1,0,0,0,0|2,0,0]=3 5711 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [0,1,0,0,0,0|3,0,0]=4 5712 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [0,1,0,0,0,0|1,0,2]=4 5713 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,1,0,0,0,0|2,0,0]=3 5714 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,1,0,0,0,0|2,0,0]=3 5715 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,1,0,0,0,0|2,0,0]=3 5716 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,1,0,0,0,0|2,0,0]=3 5717 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,1,0,0,0,0|3,0,0]=4 5718 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,1,0,0,0,0|3,0,0]=4 5719 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,1,0,0,0,0|3,0,0]=4 5720 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,1,0,0,0,0|3,0,0]=4 5721 B12R1.267 Cc1ccccc1SCCC#N 62a_100000210755_100011215226 [0,1,0,0,0,0|1,0,2]=4 5722 B12R1.267 Cc1ccccc1SCCC#N 62a_100011215226_100000210755 [0,1,0,0,0,0|1,0,2]=4 5723 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [0,1,0,0,0,0|2,0,0]=3 5724 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [0,1,0,0,0,0|2,0,0]=3 5725 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [0,1,0,0,0,0|2,0,0]=3 5726 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [0,1,0,0,0,0|2,0,0]=3 5727 B12R1.267 Cc1cccnc1CCOCF 34a_100011997706_100015361967 [0,1,0,0,0,0|3,0,0]=4 5728 B12R1.267 Cc1cccnc1CCOCF 7a_100011997706_100015361967 [0,1,0,0,0,0|3,0,0]=4 5729 B12R1.267 Cc1cccnc1CNCCF 34a_100000724931_100000696600 [0,1,0,0,0,0|3,0,0]=4 5730 B12R1.267 Cc1cccnc1CNCCF 34a_100011223789_100011217306 [0,1,0,0,0,0|3,0,0]=4 5731 B12R1.267 Cc1cccnc1CNCCO 207a_100000210304_100000698913 [0,1,0,0,0,0|3,0,0]=4 5732 B12R1.267 Cc1cccnc1CNCCO 2230a_100016997473_100000696600 [0,1,0,0,0,0|3,0,0]=4 5733 B12R1.267 Cc1cccnc1CNCCO 270004a_100000210304_100000698913 [0,1,0,0,0,0|3,0,0]=4 5734 B12R1.267 Cc1cccnc1CNCCO 34a_100011223789_100000211926 [0,1,0,0,0,0|3,0,0]=4 5735 B12R1.267 Cc1cccnc1CNCCO 34a_100016990907_100000696600 [0,1,0,0,0,0|3,0,0]=4 5736 B12R1.267 Cc1cccnc1COCCBr 34a_100000211926_100000696600 [0,1,0,0,0,0|3,0,0]=4 5737 B12R1.267 Cc1cccnc1COCCF 34a_100000698912_100011217306 [0,1,0,0,0,0|3,0,0]=4 5738 B12R1.267 Cc1cccnc1COCCN 34a_100000210304_100000696600 [0,1,0,0,0,0|2,0,0]=3 5739 B12R1.267 Cc1cccnc1COCCO 34a_100000698912_100000211926 [0,1,0,0,0,0|3,0,0]=4 5740 B12R1.267 Cc1cccnc1CSCCF 62a_100000696600_100011217306 [0,1,0,0,0,0|3,0,0]=4 5741 B12R1.267 Cc1cccnc1CSCCF 62a_100011217306_100000696600 [0,1,0,0,0,0|3,0,0]=4 5742 B12R1.267 Cc1cccnc1CSCCO 62a_100000211926_100000696600 [0,1,0,0,0,0|3,0,0]=4 5743 B12R1.267 Cc1cccnc1CSCCO 62a_100000696600_100000211926 [0,1,0,0,0,0|3,0,0]=4 5744 B12R1.267 Cc1cccnc1SCCCF 62a_100000751373_100011934791 [0,1,0,0,0,0|3,0,0]=4 5745 B12R1.267 Cc1cccnc1SCCCF 62a_100011934791_100000751373 [0,1,0,0,0,0|3,0,0]=4 5746 B12R1.267 Cc1cccnc1SCCCO 62a_100000751373_100011215043 [0,1,0,0,0,0|3,0,0]=4 5747 B12R1.267 Cc1cccnc1SCCCO 62a_100011215043_100000751373 [0,1,0,0,0,0|3,0,0]=4 5748 B12R1.267 Cc1ccncc1CNCCF 34a_100000724931_100000690890 [0,1,0,0,0,0|3,0,0]=4 5749 B12R1.267 Cc1ccncc1CNCCO 207a_100000210304_100000685662 [0,1,0,0,0,0|3,0,0]=4 5750 B12R1.267 Cc1ccncc1CNCCO 2230a_100016997473_100000690890 [0,1,0,0,0,0|3,0,0]=4 5751 B12R1.267 Cc1ccncc1CNCCO 270004a_100000210304_100000685662 [0,1,0,0,0,0|3,0,0]=4 5752 B12R1.267 Cc1ccncc1CNCCO 34a_100016990907_100000690890 [0,1,0,0,0,0|3,0,0]=4 5753 B12R1.267 Cc1ccncc1COCCBr 34a_100000211926_100000690890 [0,1,0,0,0,0|3,0,0]=4 5754 B12R1.267 Cc1ccncc1COCCF 34a_100011996381_100011217306 [0,1,0,0,0,0|3,0,0]=4 5755 B12R1.267 Cc1ccncc1COCCN 34a_100000210304_100000690890 [0,1,0,0,0,0|2,0,0]=3 5756 B12R1.267 Cc1ccncc1COCCO 34a_100011996381_100000211926 [0,1,0,0,0,0|3,0,0]=4 5757 B12R1.267 Cc1ccncc1CSCCF 62a_100000690890_100011217306 [0,1,0,0,0,0|3,0,0]=4 5758 B12R1.267 Cc1ccncc1CSCCF 62a_100011217306_100000690890 [0,1,0,0,0,0|3,0,0]=4 5759 B12R1.267 Cc1ccncc1CSCCO 62a_100000211926_100000690890 [0,1,0,0,0,0|3,0,0]=4 5760 B12R1.267 Cc1ccncc1CSCCO 62a_100000690890_100000211926 [0,1,0,0,0,0|3,0,0]=4 5761 B12R1.267 Cc1ccncc1OCCCF 34a_100011997053_100011934791 [0,1,0,0,0,0|3,0,0]=4 5762 B12R1.267 Cc1ccncc1OCCCF 7a_100011997053_100011934791 [0,1,0,0,0,0|3,0,0]=4 5763 B12R1.267 Cc1ccncc1OCCCO 34a_100011997053_100000230001 [0,1,0,0,0,0|3,0,0]=4 5764 B12R1.267 Cc1ccncc1OCCCO 7a_100011997053_100011215043 [0,1,0,0,0,0|3,0,0]=4 5765 B12R1.267 Cc1ccncc1SCCCF 62a_100000761580_100011934791 [0,1,0,0,0,0|3,0,0]=4 5766 B12R1.267 Cc1ccncc1SCCCF 62a_100011934791_100000761580 [0,1,0,0,0,0|3,0,0]=4 5767 B12R1.267 Cc1ccncc1SCCCO 62a_100000761580_100011215043 [0,1,0,0,0,0|3,0,0]=4 5768 B12R1.267 Cc1ccncc1SCCCO 62a_100011215043_100000761580 [0,1,0,0,0,0|3,0,0]=4 5769 B12R1.267 Cc1cnccc1CNCCF 34a_100000724931_100020672809 [0,1,0,0,0,0|3,0,0]=4 5770 B12R1.267 Cc1cnccc1CNCCO 2230a_100016997473_100020672808 [0,1,0,0,0,0|3,0,0]=4 5771 B12R1.267 Cc1cnccc1CNCCO 34a_100016990907_100020672809 [0,1,0,0,0,0|3,0,0]=4 5772 B12R1.267 Cc1cnccc1COCCBr 34a_100000211926_100020672809 [0,1,0,0,0,0|3,0,0]=4 5773 B12R1.267 Cc1cnccc1COCCF 34a_100011997032_100011217306 [0,1,0,0,0,0|3,0,0]=4 5774 B12R1.267 Cc1cnccc1COCCN 34a_100000210304_100020672809 [0,1,0,0,0,0|2,0,0]=3 5775 B12R1.267 Cc1cnccc1COCCO 34a_100011997032_100000211926 [0,1,0,0,0,0|3,0,0]=4 5776 B12R1.267 Cc1cnccc1CSCCF 62a_100011217306_100020672808 [0,1,0,0,0,0|3,0,0]=4 5777 B12R1.267 Cc1cnccc1CSCCF 62a_100020672808_100011217306 [0,1,0,0,0,0|3,0,0]=4 5778 B12R1.267 Cc1cnccc1CSCCO 62a_100000211926_100020672808 [0,1,0,0,0,0|3,0,0]=4 5779 B12R1.267 Cc1cnccc1CSCCO 62a_100020672808_100000211926 [0,1,0,0,0,0|3,0,0]=4 5780 B12R1.267 Cc1cnccc1NCCCF 27a_100015189416_100000765111 [0,1,0,0,0,0|3,0,0]=4 5781 B12R1.267 Cc1cnccc1NCCCO 27a_100000182051_100000765111 [0,1,0,0,0,0|3,0,0]=4 5782 B12R1.267 Cc1cnccc1OCCCF 34a_100000694293_100011934791 [0,1,0,0,0,0|3,0,0]=4 5783 B12R1.267 Cc1cnccc1OCCCO 34a_100000694293_100000230001 [0,1,0,0,0,0|3,0,0]=4 5784 B12R1.267 Cc1cnccc1SCCCF 62a_100000765111_100011934791 [0,1,0,0,0,0|3,0,0]=4 5785 B12R1.267 Cc1cnccc1SCCCF 62a_100011934791_100000765111 [0,1,0,0,0,0|3,0,0]=4 5786 B12R1.267 Cc1cnccc1SCCCO 62a_100000765111_100011215043 [0,1,0,0,0,0|3,0,0]=4 5787 B12R1.267 Cc1cnccc1SCCCO 62a_100011215043_100000765111 [0,1,0,0,0,0|3,0,0]=4 5788 B12R1.267 Cc1ncccc1CNCCF 34a_100000724931_100000732876 [0,1,0,0,0,0|3,0,0]=4 5789 B12R1.267 Cc1ncccc1CNCCO 207a_100000210304_100000751968 [0,1,0,0,0,0|3,0,0]=4 5790 B12R1.267 Cc1ncccc1CNCCO 2230a_100016997473_100000732876 [0,1,0,0,0,0|3,0,0]=4 5791 B12R1.267 Cc1ncccc1CNCCO 270004a_100000210304_100000751968 [0,1,0,0,0,0|3,0,0]=4 5792 B12R1.267 Cc1ncccc1CNCCO 34a_100016990907_100000732876 [0,1,0,0,0,0|3,0,0]=4 5793 B12R1.267 Cc1ncccc1COCCBr 34a_100000211926_100000732876 [0,1,0,0,0,0|3,0,0]=4 5794 B12R1.267 Cc1ncccc1COCCF 34a_100000729262_100011217306 [0,1,0,0,0,0|3,0,0]=4 5795 B12R1.267 Cc1ncccc1COCCF 7a_100000729262_100011217306 [0,1,0,0,0,0|3,0,0]=4 5796 B12R1.267 Cc1ncccc1COCCN 34a_100000210304_100000732876 [0,1,0,0,0,0|2,0,0]=3 5797 B12R1.267 Cc1ncccc1COCCO 34a_100000729262_100000211926 [0,1,0,0,0,0|3,0,0]=4 5798 B12R1.267 Cc1ncccc1COCCO 7a_100000729262_100000211926 [0,1,0,0,0,0|3,0,0]=4 5799 B12R1.267 Cc1ncccc1CSCCF 62a_100000732876_100011217306 [0,1,0,0,0,0|3,0,0]=4 5800 B12R1.267 Cc1ncccc1CSCCF 62a_100011217306_100000732876 [0,1,0,0,0,0|3,0,0]=4 5801 B12R1.267 Cc1ncccc1CSCCO 62a_100000211926_100000732876 [0,1,0,0,0,0|3,0,0]=4 5802 B12R1.267 Cc1ncccc1CSCCO 62a_100000732876_100000211926 [0,1,0,0,0,0|3,0,0]=4 5803 B12R1.267 Cc1ncccc1OCCCF 34a_100000745507_100011934791 [0,1,0,0,0,0|3,0,0]=4 5804 B12R1.267 Cc1ncccc1OCCCF 7a_100000745507_100011934791 [0,1,0,0,0,0|3,0,0]=4 5805 B12R1.267 Cc1ncccc1OCCCO 34a_100000745507_100000230001 [0,1,0,0,0,0|3,0,0]=4 5806 B12R1.267 Cc1ncccc1OCCCO 7a_100000745507_100011215043 [0,1,0,0,0,0|3,0,0]=4 5807 B12R1.267 Cc1ncccc1SCCCF 62a_100000751574_100011934791 [0,1,0,0,0,0|3,0,0]=4 5808 B12R1.267 Cc1ncccc1SCCCF 62a_100011934791_100000751574 [0,1,0,0,0,0|3,0,0]=4 5809 B12R1.267 Cc1ncccc1SCCCO 62a_100000751574_100011215043 [0,1,0,0,0,0|3,0,0]=4 5810 B12R1.267 Cc1ncccc1SCCCO 62a_100011215043_100000751574 [0,1,0,0,0,0|3,0,0]=4 5811 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,1,0,0,0,0|2,0,0]=3 5812 B12R1.267 Clc1ncccc1COCCBr 34a_100000211926_100000045678 [0,1,0,0,0,0|3,0,0]=4 5813 B12R1.267 FCCCNc1ccccc1Br 34a_100000210017_100011934791 [0,1,0,0,0,0|2,0,0]=3 5814 B12R1.267 FCCCNc1ccccc1Cl 34a_100000185783_100011934791 [0,1,0,0,0,0|2,0,0]=3 5815 B12R1.267 FCCCNc1ccccc1F 34a_100000210422_100011934791 [0,1,0,0,0,0|2,0,0]=3 5816 B12R1.267 FCCCNc1ccccc1I 34a_100000210053_100011934791 [0,1,0,0,0,0|2,0,0]=3 5817 B12R1.267 FCCCNc1ccncc1Br 27a_100015189416_100000726257 [0,1,0,0,0,0|3,0,0]=4 5818 B12R1.267 FCCCNc1ccncc1F 27a_100015189416_100000035921 [0,1,0,0,0,0|3,0,0]=4 5819 B12R1.267 FCCCNc1ncccc1Br 27a_100015189416_100000696092 [0,1,0,0,0,0|3,0,0]=4 5820 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,1,0,0,0,0|2,0,0]=3 5821 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,1,0,0,0,0|2,0,0]=3 5822 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,1,0,0,0,0|2,0,0]=3 5823 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,1,0,0,0,0|2,0,0]=3 5824 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,1,0,0,0,0|2,0,0]=3 5825 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,1,0,0,0,0|2,0,0]=3 5826 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,1,0,0,0,0|2,0,0]=3 5827 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,1,0,0,0,0|2,0,0]=3 5828 B12R1.267 FCCCOc1cccnc1Br 34a_100000744436_100011934791 [0,1,0,0,0,0|3,0,0]=4 5829 B12R1.267 FCCCOc1cccnc1Br 7a_100000744436_100011934791 [0,1,0,0,0,0|3,0,0]=4 5830 B12R1.267 FCCCOc1cccnc1Cl 34a_100000757616_100011934791 [0,1,0,0,0,0|3,0,0]=4 5831 B12R1.267 FCCCOc1cccnc1Cl 7a_100000757616_100011934791 [0,1,0,0,0,0|3,0,0]=4 5832 B12R1.267 FCCCOc1cccnc1F 34a_100000061740_100011934791 [0,1,0,0,0,0|3,0,0]=4 5833 B12R1.267 FCCCOc1cccnc1F 7a_100000061740_100011934791 [0,1,0,0,0,0|3,0,0]=4 5834 B12R1.267 FCCCOc1cccnc1I 34a_100000034122_100011934791 [0,1,0,0,0,0|3,0,0]=4 5835 B12R1.267 FCCCOc1cccnc1I 7a_100000034122_100011934791 [0,1,0,0,0,0|3,0,0]=4 5836 B12R1.267 FCCCOc1ccncc1Br 34a_100011996408_100011934791 [0,1,0,0,0,0|3,0,0]=4 5837 B12R1.267 FCCCOc1ccncc1Cl 34a_100011997054_100011934791 [0,1,0,0,0,0|3,0,0]=4 5838 B12R1.267 FCCCOc1ccncc1F 34a_200000081243_100011934791 [0,1,0,0,0,0|3,0,0]=4 5839 B12R1.267 FCCCOc1cnccc1Cl 34a_100011996695_100011934791 [0,1,0,0,0,0|3,0,0]=4 5840 B12R1.267 FCCCOc1cnccc1I 34a_100000050107_100011934791 [0,1,0,0,0,0|3,0,0]=4 5841 B12R1.267 FCCCOc1ncccc1Cl 34a_100011290957_100011934791 [0,1,0,0,0,0|3,0,0]=4 5842 B12R1.267 FCCCOc1ncccc1F 34a_100011219419_100011934791 [0,1,0,0,0,0|3,0,0]=4 5843 B12R1.267 FCCCSc1c[nH]ccc1=S 62a_100011934791_200012280681 [0,1,0,0,0,0|3,0,0]=4 5844 B12R1.267 FCCCSc1c[nH]ccc1=S 62a_200012280681_100011934791 [0,1,0,0,0,0|3,0,0]=4 5845 B12R1.267 FCCCSc1ccccc1Br 62a_100000695589_100011934791 [0,1,0,0,0,0|2,0,0]=3 5846 B12R1.267 FCCCSc1ccccc1Br 62a_100011934791_100000695589 [0,1,0,0,0,0|2,0,0]=3 5847 B12R1.267 FCCCSc1ccccc1Cl 62a_100000764095_100011934791 [0,1,0,0,0,0|2,0,0]=3 5848 B12R1.267 FCCCSc1ccccc1Cl 62a_100011934791_100000764095 [0,1,0,0,0,0|2,0,0]=3 5849 B12R1.267 FCCCSc1ccccc1F 62a_100011215700_100011934791 [0,1,0,0,0,0|2,0,0]=3 5850 B12R1.267 FCCCSc1ccccc1F 62a_100011934791_100011215700 [0,1,0,0,0,0|2,0,0]=3 5851 B12R1.267 FCCCSc1cccnc1Br 62a_100010202626_100011934791 [0,1,0,0,0,0|3,0,0]=4 5852 B12R1.267 FCCCSc1cccnc1Br 62a_100011934791_100010202626 [0,1,0,0,0,0|3,0,0]=4 5853 B12R1.267 FCCCSc1cccnc1Cl 62a_100000036424_100011934791 [0,1,0,0,0,0|3,0,0]=4 5854 B12R1.267 FCCCSc1cccnc1Cl 62a_100011934791_100000036424 [0,1,0,0,0,0|3,0,0]=4 5855 B12R1.267 FCCCSc1cccnc1F 62a_100009816115_100011934791 [0,1,0,0,0,0|3,0,0]=4 5856 B12R1.267 FCCCSc1cccnc1F 62a_100011934791_100009816115 [0,1,0,0,0,0|3,0,0]=4 5857 B12R1.267 FCCCSc1ccncc1Br 62a_100000726257_100011934791 [0,1,0,0,0,0|3,0,0]=4 5858 B12R1.267 FCCCSc1ccncc1Br 62a_100011934791_100000726257 [0,1,0,0,0,0|3,0,0]=4 5859 B12R1.267 FCCCSc1ccncc1Cl 62a_100000708259_100011934791 [0,1,0,0,0,0|3,0,0]=4 5860 B12R1.267 FCCCSc1ccncc1Cl 62a_100011934791_100000708259 [0,1,0,0,0,0|3,0,0]=4 5861 B12R1.267 FCCCSc1ccncc1F 62a_100000047030_100011934791 [0,1,0,0,0,0|3,0,0]=4 5862 B12R1.267 FCCCSc1ccncc1F 62a_100011934791_100000047030 [0,1,0,0,0,0|3,0,0]=4 5863 B12R1.267 FCCCSc1cnccc1Br 62a_100010138639_100011934791 [0,1,0,0,0,0|3,0,0]=4 5864 B12R1.267 FCCCSc1cnccc1Br 62a_100011934791_100010138639 [0,1,0,0,0,0|3,0,0]=4 5865 B12R1.267 FCCCSc1cnccc1Cl 62a_100009995489_100011934791 [0,1,0,0,0,0|3,0,0]=4 5866 B12R1.267 FCCCSc1cnccc1Cl 62a_100011934791_100009995489 [0,1,0,0,0,0|3,0,0]=4 5867 B12R1.267 FCCCSc1cnccc1F 62a_100009820683_100011934791 [0,1,0,0,0,0|3,0,0]=4 5868 B12R1.267 FCCCSc1cnccc1F 62a_100011934791_100009820683 [0,1,0,0,0,0|3,0,0]=4 5869 B12R1.267 FCCCSc1ncccc1Br 62a_100000696092_100011934791 [0,1,0,0,0,0|3,0,0]=4 5870 B12R1.267 FCCCSc1ncccc1Br 62a_100011934791_100000696092 [0,1,0,0,0,0|3,0,0]=4 5871 B12R1.267 FCCCSc1ncccc1Cl 62a_100011356963_100011934791 [0,1,0,0,0,0|3,0,0]=4 5872 B12R1.267 FCCCSc1ncccc1Cl 62a_100011934791_100011356963 [0,1,0,0,0,0|3,0,0]=4 5873 B12R1.267 FCCCSc1ncccc1F 62a_100000685392_100011934791 [0,1,0,0,0,0|3,0,0]=4 5874 B12R1.267 FCCCSc1ncccc1F 62a_100011934791_100000685392 [0,1,0,0,0,0|3,0,0]=4 5875 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,1,0,0,0,0|2,0,0]=3 5876 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,1,0,0,0,0|2,0,0]=3 5877 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,1,0,0,0,0|2,0,0]=3 5878 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,1,0,0,0,0|2,0,0]=3 5879 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,1,0,0,0,0|2,0,0]=3 5880 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,1,0,0,0,0|2,0,0]=3 5881 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,1,0,0,0,0|2,0,0]=3 5882 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,1,0,0,0,0|2,0,0]=3 5883 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,1,0,0,0,0|2,0,0]=3 5884 B12R1.267 FCCNCc1cccnc1Br 2230a_100009818023_100011217306 [0,1,0,0,0,0|3,0,0]=4 5885 B12R1.267 FCCNCc1cccnc1Br 34a_100000724931_100010140945 [0,1,0,0,0,0|3,0,0]=4 5886 B12R1.267 FCCNCc1cccnc1Br 34a_100009818023_100011217306 [0,1,0,0,0,0|3,0,0]=4 5887 B12R1.267 FCCNCc1cccnc1Cl 2230a_100015189234_100011217306 [0,1,0,0,0,0|3,0,0]=4 5888 B12R1.267 FCCNCc1cccnc1Cl 34a_100000724931_100000045678 [0,1,0,0,0,0|3,0,0]=4 5889 B12R1.267 FCCNCc1cccnc1Cl 34a_100015189234_100011217306 [0,1,0,0,0,0|3,0,0]=4 5890 B12R1.267 FCCNCc1cccnc1F 34a_100000724633_100011217306 [0,1,0,0,0,0|3,0,0]=4 5891 B12R1.267 FCCNCc1cccnc1F 34a_100000724931_100000099810 [0,1,0,0,0,0|3,0,0]=4 5892 B12R1.267 FCCNCc1ccncc1F 34a_100011935246_100011217306 [0,1,0,0,0,0|3,0,0]=4 5893 B12R1.267 FCCNCc1ncccc1Br 34a_100000724931_100025702911 [0,1,0,0,0,0|3,0,0]=4 5894 B12R1.267 FCCNCc1ncccc1Cl 2230a_100015189233_100011217306 [0,1,0,0,0,0|3,0,0]=4 5895 B12R1.267 FCCNCc1ncccc1F 34a_100000690088_100011217306 [0,1,0,0,0,0|3,0,0]=4 5896 B12R1.267 FCCNCc1ncccc1F 34a_100000724931_100000104219 [0,1,0,0,0,0|3,0,0]=4 5897 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,1,0,0,0,0|2,0,0]=3 5898 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,1,0,0,0,0|2,0,0]=3 5899 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,1,0,0,0,0|2,0,0]=3 5900 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,1,0,0,0,0|2,0,0]=3 5901 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,1,0,0,0,0|2,0,0]=3 5902 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,1,0,0,0,0|2,0,0]=3 5903 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,1,0,0,0,0|2,0,0]=3 5904 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,1,0,0,0,0|2,0,0]=3 5905 B12R1.267 FCCOCc1cccnc1Br 34a_100000719692_100011217306 [0,1,0,0,0,0|3,0,0]=4 5906 B12R1.267 FCCOCc1cccnc1Br 7a_100000719692_100011217306 [0,1,0,0,0,0|3,0,0]=4 5907 B12R1.267 FCCOCc1cccnc1Cl 34a_100000748726_100011217306 [0,1,0,0,0,0|3,0,0]=4 5908 B12R1.267 FCCOCc1cccnc1Cl 7a_100000748726_100011217306 [0,1,0,0,0,0|3,0,0]=4 5909 B12R1.267 FCCOCc1cccnc1F 34a_100000079888_100011217306 [0,1,0,0,0,0|3,0,0]=4 5910 B12R1.267 FCCOCc1cccnc1F 7a_100000079888_100011217306 [0,1,0,0,0,0|3,0,0]=4 5911 B12R1.267 FCCOCc1ccncc1F 34a_100012172863_100011217306 [0,1,0,0,0,0|3,0,0]=4 5912 B12R1.267 FCCOCc1cnccc1Cl 34a_100000117392_100011217306 [0,1,0,0,0,0|3,0,0]=4 5913 B12R1.267 FCCOCc1ncccc1Br 34a_100011996772_100011217306 [0,1,0,0,0,0|3,0,0]=4 5914 B12R1.267 FCCOCc1ncccc1Cl 34a_100012002383_100011217306 [0,1,0,0,0,0|3,0,0]=4 5915 B12R1.267 FCCOCc1ncccc1F 34a_100011934865_100011217306 [0,1,0,0,0,0|3,0,0]=4 5916 B12R1.267 FCCSCc1ccccc1Br 62a_100000184730_100011217306 [0,1,0,0,0,0|2,0,0]=3 5917 B12R1.267 FCCSCc1ccccc1Br 62a_100011217306_100000184730 [0,1,0,0,0,0|2,0,0]=3 5918 B12R1.267 FCCSCc1ccccc1Cl 62a_100000187162_100011217306 [0,1,0,0,0,0|2,0,0]=3 5919 B12R1.267 FCCSCc1ccccc1Cl 62a_100011217306_100000187162 [0,1,0,0,0,0|2,0,0]=3 5920 B12R1.267 FCCSCc1ccccc1F 62a_100000211605_100011217306 [0,1,0,0,0,0|2,0,0]=3 5921 B12R1.267 FCCSCc1ccccc1F 62a_100011217306_100000211605 [0,1,0,0,0,0|2,0,0]=3 5922 B12R1.267 FCCSCc1ccccc1I 62a_100011216222_100011217306 [0,1,0,0,0,0|2,0,0]=3 5923 B12R1.267 FCCSCc1ccccc1I 62a_100011217306_100011216222 [0,1,0,0,0,0|2,0,0]=3 5924 B12R1.267 FCCSCc1cccnc1Br 62a_100010140945_100011217306 [0,1,0,0,0,0|3,0,0]=4 5925 B12R1.267 FCCSCc1cccnc1Br 62a_100011217306_100010140945 [0,1,0,0,0,0|3,0,0]=4 5926 B12R1.267 FCCSCc1cccnc1Cl 62a_100000045678_100011217306 [0,1,0,0,0,0|3,0,0]=4 5927 B12R1.267 FCCSCc1cccnc1Cl 62a_100011217306_100000045678 [0,1,0,0,0,0|3,0,0]=4 5928 B12R1.267 FCCSCc1cccnc1F 62a_100000099810_100011217306 [0,1,0,0,0,0|3,0,0]=4 5929 B12R1.267 FCCSCc1cccnc1F 62a_100011217306_100000099810 [0,1,0,0,0,0|3,0,0]=4 5930 B12R1.267 FCCSCc1ccncc1Cl 62a_100000763264_100011217306 [0,1,0,0,0,0|3,0,0]=4 5931 B12R1.267 FCCSCc1ccncc1Cl 62a_100011217306_100000763264 [0,1,0,0,0,0|3,0,0]=4 5932 B12R1.267 FCCSCc1ncccc1Br 62a_100011217306_100025702911 [0,1,0,0,0,0|3,0,0]=4 5933 B12R1.267 FCCSCc1ncccc1Br 62a_100025702911_100011217306 [0,1,0,0,0,0|3,0,0]=4 5934 B12R1.267 FCCSCc1ncccc1Cl 62a_100000099807_100011217306 [0,1,0,0,0,0|3,0,0]=4 5935 B12R1.267 FCCSCc1ncccc1Cl 62a_100011217306_100000099807 [0,1,0,0,0,0|3,0,0]=4 5936 B12R1.267 FCCSCc1ncccc1F 62a_100000104219_100011217306 [0,1,0,0,0,0|3,0,0]=4 5937 B12R1.267 FCCSCc1ncccc1F 62a_100011217306_100000104219 [0,1,0,0,0,0|3,0,0]=4 5938 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,1,0,0,0,0|2,0,0]=3 5939 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,1,0,0,0,0|2,0,0]=3 5940 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,1,0,0,0,0|2,0,0]=3 5941 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [0,1,0,0,0,0|2,0,0]=3 5942 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [0,1,0,0,0,0|2,0,0]=3 5943 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [0,1,0,0,0,0|2,0,0]=3 5944 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [0,1,0,0,0,0|2,0,0]=3 5945 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [0,1,0,0,0,0|2,0,0]=3 5946 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [0,1,0,0,0,0|2,0,0]=3 5947 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [0,1,0,0,0,0|2,0,0]=3 5948 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [0,1,0,0,0,0|2,0,0]=3 5949 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [0,1,0,0,0,0|2,0,0]=3 5950 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [0,1,0,0,0,0|2,0,0]=3 5951 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [0,1,0,0,0,0|2,0,0]=3 5952 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [0,1,0,0,0,0|2,0,0]=3 5953 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [0,1,0,0,0,0|2,0,0]=3 5954 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [0,1,0,0,0,0|2,0,0]=3 5955 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,1,0,0,0,0|2,0,0]=3 5956 B12R1.267 Fc1cccnc1COCCBr 34a_100000211926_100000104219 [0,1,0,0,0,0|3,0,0]=4 5957 B12R1.267 Fc1ncccc1COCCBr 34a_100000211926_100000099810 [0,1,0,0,0,0|3,0,0]=4 5958 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [0,1,0,0,0,0|1,0,2]=4 5959 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [0,1,0,0,0,0|1,0,2]=4 5960 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [0,1,0,0,0,0|1,0,2]=4 5961 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [0,1,0,0,0,0|1,0,2]=4 5962 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [0,1,0,0,0,0|1,0,2]=4 5963 B12R1.267 N#CCCSc1ccccc1Br 62a_100000695589_100011215226 [0,1,0,0,0,0|1,0,2]=4 5964 B12R1.267 N#CCCSc1ccccc1Br 62a_100011215226_100000695589 [0,1,0,0,0,0|1,0,2]=4 5965 B12R1.267 N#CCCSc1ccccc1Cl 62a_100000764095_100011215226 [0,1,0,0,0,0|1,0,2]=4 5966 B12R1.267 N#CCCSc1ccccc1Cl 62a_100011215226_100000764095 [0,1,0,0,0,0|1,0,2]=4 5967 B12R1.267 N#CCCSc1ccccc1F 62a_100011215226_100011215700 [0,1,0,0,0,0|1,0,2]=4 5968 B12R1.267 N#CCCSc1ccccc1F 62a_100011215700_100011215226 [0,1,0,0,0,0|1,0,2]=4 5969 B12R1.267 N#CCCSc1ccccc1N 62a_100000210017_100011215226 [0,1,0,0,0,0|1,0,2]=4 5970 B12R1.267 N#CCCSc1ccccc1N 62a_100011215226_100000210017 [0,1,0,0,0,0|1,0,2]=4 5971 B12R1.267 N#CCCSc1ccccc1O 62a_100000739446_100011215226 [0,1,0,0,0,0|1,0,2]=4 5972 B12R1.267 N#CCCSc1ccccc1O 62a_100011215226_100000739446 [0,1,0,0,0,0|1,0,2]=4 5973 B12R1.267 N#CCNCc1ccccc1Br 2230a_100000689332_100011215382 [0,1,0,0,0,0|1,0,2]=4 5974 B12R1.267 N#CCNCc1ccccc1Cl 2230a_100000174879_100011215382 [0,1,0,0,0,0|1,0,2]=4 5975 B12R1.267 N#CCOCc1ccccc1Br 7a_100000756307_100011215382 [0,1,0,0,0,0|1,0,2]=4 5976 B12R1.267 N#CCOCc1ccccc1Cl 7a_100000210847_100011215382 [0,1,0,0,0,0|1,0,2]=4 5977 B12R1.267 N#CCOCc1ccccc1F 7a_100000211962_100011215382 [0,1,0,0,0,0|1,0,2]=4 5978 B12R1.267 N#CCOCc1ccccc1I 7a_100000187465_100011215382 [0,1,0,0,0,0|1,0,2]=4 5979 B12R1.267 N#CCSCc1ccccc1Br 62a_100000184730_100011215382 [0,1,0,0,0,0|1,0,2]=4 5980 B12R1.267 N#CCSCc1ccccc1Br 62a_100011215382_100000184730 [0,1,0,0,0,0|1,0,2]=4 5981 B12R1.267 N#CCSCc1ccccc1Cl 62a_100000187162_100011215382 [0,1,0,0,0,0|1,0,2]=4 5982 B12R1.267 N#CCSCc1ccccc1Cl 62a_100011215382_100000187162 [0,1,0,0,0,0|1,0,2]=4 5983 B12R1.267 N#CCSCc1ccccc1F 62a_100000211605_100011215382 [0,1,0,0,0,0|1,0,2]=4 5984 B12R1.267 N#CCSCc1ccccc1F 62a_100011215382_100000211605 [0,1,0,0,0,0|1,0,2]=4 5985 B12R1.267 N#CCSCc1ccccc1I 62a_100011215382_100011216222 [0,1,0,0,0,0|1,0,2]=4 5986 B12R1.267 N#CCSCc1ccccc1I 62a_100011216222_100011215382 [0,1,0,0,0,0|1,0,2]=4 5987 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,1,0,0,0,0|1,0,0]=2 5988 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,1,0,0,0,0|1,0,0]=2 5989 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,1,0,0,0,0|1,0,0]=2 5990 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,1,0,0,0,0|1,0,0]=2 5991 B12R1.267 NCCOCc1cccnc1Br 34a_100000210304_100010140945 [0,1,0,0,0,0|2,0,0]=3 5992 B12R1.267 NCCOCc1cccnc1Cl 34a_100000210304_100000045678 [0,1,0,0,0,0|2,0,0]=3 5993 B12R1.267 NCCOCc1cccnc1F 34a_100000210304_100000099810 [0,1,0,0,0,0|2,0,0]=3 5994 B12R1.267 NCCOCc1ncccc1Br 34a_100000210304_100025702911 [0,1,0,0,0,0|2,0,0]=3 5995 B12R1.267 NCCOCc1ncccc1F 34a_100000210304_100000104219 [0,1,0,0,0,0|2,0,0]=3 5996 B12R1.267 NCCOCc1ncccc1O 34a_100000210304_200020655725 [0,1,0,0,0,0|2,0,0]=3 5997 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [0,1,0,0,0,0|2,0,0]=3 5998 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,1,0,0,0,0|2,0,1]=4 5999 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,1,0,0,0,0|2,0,0]=3 6000 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,1,0,0,0,0|2,0,0]=3 6001 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,1,0,0,0,0|2,0,0]=3 6002 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,1,0,0,0,0|2,0,0]=3 6003 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,1,0,0,0,0|2,0,0]=3 6004 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,1,0,0,0,0|2,0,0]=3 6005 B12R1.267 Nc1ccccc1SCCCF 62a_100000210017_100011934791 [0,1,0,0,0,0|2,0,0]=3 6006 B12R1.267 Nc1ccccc1SCCCF 62a_100011934791_100000210017 [0,1,0,0,0,0|2,0,0]=3 6007 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [0,1,0,0,0,0|2,0,0]=3 6008 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [0,1,0,0,0,0|2,0,0]=3 6009 B12R1.267 Nc1cccnc1COCCF 34a_114873767017_100011217306 [0,1,0,0,0,0|3,0,0]=4 6010 B12R1.267 Nc1cccnc1COCCO 34a_114873767017_100000211926 [0,1,0,0,0,0|3,0,0]=4 6011 B12R1.267 Nc1cccnc1OCCCF 34a_100000746358_100011934791 [0,1,0,0,0,0|3,0,0]=4 6012 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [0,1,0,0,0,0|3,0,0]=4 6013 B12R1.267 Nc1cccnc1SCCCF 62a_100000688686_100011934791 [0,1,0,0,0,0|3,0,0]=4 6014 B12R1.267 Nc1cccnc1SCCCF 62a_100011934791_100000688686 [0,1,0,0,0,0|3,0,0]=4 6015 B12R1.267 Nc1cccnc1SCCCO 62a_100000688686_100011215043 [0,1,0,0,0,0|3,0,0]=4 6016 B12R1.267 Nc1cccnc1SCCCO 62a_100011215043_100000688686 [0,1,0,0,0,0|3,0,0]=4 6017 B12R1.267 Nc1ccncc1OCCCF 34a_100000753702_100011934791 [0,1,0,0,0,0|3,0,0]=4 6018 B12R1.267 Nc1ccncc1OCCCO 34a_100000753702_100000230001 [0,1,0,0,0,0|3,0,0]=4 6019 B12R1.267 Nc1ccncc1SCCCF 62a_100000047001_100011934791 [0,1,0,0,0,0|3,0,0]=4 6020 B12R1.267 Nc1ccncc1SCCCF 62a_100011934791_100000047001 [0,1,0,0,0,0|3,0,0]=4 6021 B12R1.267 Nc1ccncc1SCCCO 62a_100000047001_100011215043 [0,1,0,0,0,0|3,0,0]=4 6022 B12R1.267 Nc1ccncc1SCCCO 62a_100011215043_100000047001 [0,1,0,0,0,0|3,0,0]=4 6023 B12R1.267 Nc1cnccc1SCCCF 62a_100000756074_100011934791 [0,1,0,0,0,0|3,0,0]=4 6024 B12R1.267 Nc1cnccc1SCCCF 62a_100011934791_100000756074 [0,1,0,0,0,0|3,0,0]=4 6025 B12R1.267 Nc1cnccc1SCCCO 62a_100000756074_100011215043 [0,1,0,0,0,0|3,0,0]=4 6026 B12R1.267 Nc1cnccc1SCCCO 62a_100011215043_100000756074 [0,1,0,0,0,0|3,0,0]=4 6027 B12R1.267 Nc1ncccc1OCCCF 34a_100000211975_100011934791 [0,1,0,0,0,0|3,0,0]=4 6028 B12R1.267 Nc1ncccc1OCCCF 7a_100000211975_100011934791 [0,1,0,0,0,0|3,0,0]=4 6029 B12R1.267 Nc1ncccc1OCCCO 34a_100000211975_100000230001 [0,1,0,0,0,0|3,0,0]=4 6030 B12R1.267 Nc1ncccc1OCCCO 7a_100000211975_100011215043 [0,1,0,0,0,0|3,0,0]=4 6031 B12R1.267 Nc1ncccc1SCCCF 62a_100000045569_100011934791 [0,1,0,0,0,0|3,0,0]=4 6032 B12R1.267 Nc1ncccc1SCCCF 62a_100011934791_100000045569 [0,1,0,0,0,0|3,0,0]=4 6033 B12R1.267 Nc1ncccc1SCCCO 62a_100000045569_100011215043 [0,1,0,0,0,0|3,0,0]=4 6034 B12R1.267 Nc1ncccc1SCCCO 62a_100011215043_100000045569 [0,1,0,0,0,0|3,0,0]=4 6035 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,1,0,0,0,0|2,0,1]=4 6036 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,1,0,0,0,0|2,0,1]=4 6037 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,1,0,0,0,0|2,0,1]=4 6038 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,1,0,0,0,0|2,0,1]=4 6039 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,1,0,0,0,0|2,0,1]=4 6040 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,1,0,0,0,0|2,0,1]=4 6041 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,1,0,0,0,0|2,0,1]=4 6042 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,1,0,0,0,0|2,0,1]=4 6043 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,1,0,0,0,0|2,0,1]=4 6044 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,1,0,0,0,0|2,0,1]=4 6045 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,1,0,0,0,0|2,0,1]=4 6046 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,1,0,0,0,0|2,0,1]=4 6047 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,1,0,0,0,0|2,0,1]=4 6048 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,1,0,0,0,0|2,0,1]=4 6049 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,1,0,0,0,0|2,0,1]=4 6050 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,1,0,0,0,0|2,0,1]=4 6051 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,1,0,0,0,0|2,0,1]=4 6052 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,1,0,0,0,0|2,0,1]=4 6053 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,1,0,0,0,0|2,0,1]=4 6054 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,1,0,0,0,0|2,0,1]=4 6055 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,1,0,0,0,0|2,0,1]=4 6056 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,1,0,0,0,0|2,0,1]=4 6057 B12R1.267 O=c1cc[nH]cc1SCCCF 62a_100009998708_100011934791 [0,1,0,0,0,0|3,0,0]=4 6058 B12R1.267 O=c1cc[nH]cc1SCCCF 62a_100011934791_100009998708 [0,1,0,0,0,0|3,0,0]=4 6059 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100009998708_100011215043 [0,1,0,0,0,0|3,0,0]=4 6060 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100011215043_100009998708 [0,1,0,0,0,0|3,0,0]=4 6061 B12R1.267 O=c1ccocc1OCCCF 34a_100000060831_100011934791 [0,1,0,0,0,0|3,0,0]=4 6062 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [0,1,0,0,0,0|3,0,0]=4 6063 B12R1.267 O=c1occcc1OCCCF 34a_100000077404_100011934791 [0,1,0,0,0,0|3,0,0]=4 6064 B12R1.267 O=c1occcc1OCCCF 7a_100000077404_100011934791 [0,1,0,0,0,0|3,0,0]=4 6065 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [0,1,0,0,0,0|3,0,0]=4 6066 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [0,1,0,0,0,0|3,0,0]=4 6067 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,1,0,0,0,0|1,0,0]=2 6068 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [0,1,0,0,0,0|2,0,0]=3 6069 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [0,1,0,0,0,0|2,0,0]=3 6070 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [0,1,0,0,0,0|2,0,0]=3 6071 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [0,1,0,0,0,0|2,0,0]=3 6072 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [0,1,0,0,0,0|2,0,0]=3 6073 B12R1.267 OCCCNc1ccncc1Br 27a_100000182051_100000726257 [0,1,0,0,0,0|3,0,0]=4 6074 B12R1.267 OCCCNc1ccncc1F 27a_100000182051_100000035921 [0,1,0,0,0,0|3,0,0]=4 6075 B12R1.267 OCCCNc1ncccc1Br 27a_100000182051_100000696092 [0,1,0,0,0,0|3,0,0]=4 6076 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,1,0,0,0,0|2,0,0]=3 6077 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,1,0,0,0,0|2,0,0]=3 6078 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,1,0,0,0,0|2,0,0]=3 6079 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,1,0,0,0,0|2,0,0]=3 6080 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,1,0,0,0,0|2,0,0]=3 6081 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,1,0,0,0,0|2,0,0]=3 6082 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,1,0,0,0,0|2,0,0]=3 6083 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,1,0,0,0,0|2,0,0]=3 6084 B12R1.267 OCCCOc1cccnc1Br 34a_100000744436_100000230001 [0,1,0,0,0,0|3,0,0]=4 6085 B12R1.267 OCCCOc1cccnc1Br 7a_100000744436_100011215043 [0,1,0,0,0,0|3,0,0]=4 6086 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [0,1,0,0,0,0|3,0,0]=4 6087 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [0,1,0,0,0,0|3,0,0]=4 6088 B12R1.267 OCCCOc1cccnc1F 34a_100000061740_100000230001 [0,1,0,0,0,0|3,0,0]=4 6089 B12R1.267 OCCCOc1cccnc1F 7a_100000061740_100011215043 [0,1,0,0,0,0|3,0,0]=4 6090 B12R1.267 OCCCOc1cccnc1I 34a_100000034122_100000230001 [0,1,0,0,0,0|3,0,0]=4 6091 B12R1.267 OCCCOc1cccnc1I 7a_100000034122_100011215043 [0,1,0,0,0,0|3,0,0]=4 6092 B12R1.267 OCCCOc1ccncc1Br 34a_100011996408_100000230001 [0,1,0,0,0,0|3,0,0]=4 6093 B12R1.267 OCCCOc1ccncc1Cl 34a_100011997054_100000230001 [0,1,0,0,0,0|3,0,0]=4 6094 B12R1.267 OCCCOc1ccncc1F 34a_200000081243_100000230001 [0,1,0,0,0,0|3,0,0]=4 6095 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [0,1,0,0,0,0|3,0,0]=4 6096 B12R1.267 OCCCOc1cnccc1I 34a_100000050107_100000230001 [0,1,0,0,0,0|3,0,0]=4 6097 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [0,1,0,0,0,0|3,0,0]=4 6098 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [0,1,0,0,0,0|3,0,0]=4 6099 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_100011215043_200012280681 [0,1,0,0,0,0|3,0,0]=4 6100 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_200012280681_100011215043 [0,1,0,0,0,0|3,0,0]=4 6101 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [0,1,0,0,0,0|2,0,0]=3 6102 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [0,1,0,0,0,0|2,0,0]=3 6103 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [0,1,0,0,0,0|2,0,0]=3 6104 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [0,1,0,0,0,0|2,0,0]=3 6105 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [0,1,0,0,0,0|2,0,0]=3 6106 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [0,1,0,0,0,0|2,0,0]=3 6107 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [0,1,0,0,0,0|2,0,0]=3 6108 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [0,1,0,0,0,0|2,0,0]=3 6109 B12R1.267 OCCCSc1cccnc1Br 62a_100010202626_100011215043 [0,1,0,0,0,0|3,0,0]=4 6110 B12R1.267 OCCCSc1cccnc1Br 62a_100011215043_100010202626 [0,1,0,0,0,0|3,0,0]=4 6111 B12R1.267 OCCCSc1cccnc1Cl 62a_100000036424_100011215043 [0,1,0,0,0,0|3,0,0]=4 6112 B12R1.267 OCCCSc1cccnc1Cl 62a_100011215043_100000036424 [0,1,0,0,0,0|3,0,0]=4 6113 B12R1.267 OCCCSc1cccnc1F 62a_100009816115_100011215043 [0,1,0,0,0,0|3,0,0]=4 6114 B12R1.267 OCCCSc1cccnc1F 62a_100011215043_100009816115 [0,1,0,0,0,0|3,0,0]=4 6115 B12R1.267 OCCCSc1cccnc1O 62a_100000760158_100011215043 [0,1,0,0,0,0|3,0,0]=4 6116 B12R1.267 OCCCSc1cccnc1O 62a_100011215043_100000760158 [0,1,0,0,0,0|3,0,0]=4 6117 B12R1.267 OCCCSc1ccncc1Br 62a_100000726257_100011215043 [0,1,0,0,0,0|3,0,0]=4 6118 B12R1.267 OCCCSc1ccncc1Br 62a_100011215043_100000726257 [0,1,0,0,0,0|3,0,0]=4 6119 B12R1.267 OCCCSc1ccncc1Cl 62a_100000708259_100011215043 [0,1,0,0,0,0|3,0,0]=4 6120 B12R1.267 OCCCSc1ccncc1Cl 62a_100011215043_100000708259 [0,1,0,0,0,0|3,0,0]=4 6121 B12R1.267 OCCCSc1ccncc1F 62a_100000047030_100011215043 [0,1,0,0,0,0|3,0,0]=4 6122 B12R1.267 OCCCSc1ccncc1F 62a_100011215043_100000047030 [0,1,0,0,0,0|3,0,0]=4 6123 B12R1.267 OCCCSc1ccncc1O 62a_100009817591_100011215043 [0,1,0,0,0,0|3,0,0]=4 6124 B12R1.267 OCCCSc1ccncc1O 62a_100011215043_100009817591 [0,1,0,0,0,0|3,0,0]=4 6125 B12R1.267 OCCCSc1cnccc1Br 62a_100010138639_100011215043 [0,1,0,0,0,0|3,0,0]=4 6126 B12R1.267 OCCCSc1cnccc1Br 62a_100011215043_100010138639 [0,1,0,0,0,0|3,0,0]=4 6127 B12R1.267 OCCCSc1cnccc1Cl 62a_100009995489_100011215043 [0,1,0,0,0,0|3,0,0]=4 6128 B12R1.267 OCCCSc1cnccc1Cl 62a_100011215043_100009995489 [0,1,0,0,0,0|3,0,0]=4 6129 B12R1.267 OCCCSc1cnccc1F 62a_100009820683_100011215043 [0,1,0,0,0,0|3,0,0]=4 6130 B12R1.267 OCCCSc1cnccc1F 62a_100011215043_100009820683 [0,1,0,0,0,0|3,0,0]=4 6131 B12R1.267 OCCCSc1ncccc1Br 62a_100000696092_100011215043 [0,1,0,0,0,0|3,0,0]=4 6132 B12R1.267 OCCCSc1ncccc1Br 62a_100011215043_100000696092 [0,1,0,0,0,0|3,0,0]=4 6133 B12R1.267 OCCCSc1ncccc1Cl 62a_100011215043_100011356963 [0,1,0,0,0,0|3,0,0]=4 6134 B12R1.267 OCCCSc1ncccc1Cl 62a_100011356963_100011215043 [0,1,0,0,0,0|3,0,0]=4 6135 B12R1.267 OCCCSc1ncccc1F 62a_100000685392_100011215043 [0,1,0,0,0,0|3,0,0]=4 6136 B12R1.267 OCCCSc1ncccc1F 62a_100011215043_100000685392 [0,1,0,0,0,0|3,0,0]=4 6137 B12R1.267 OCCCSc1ncccc1O 62a_100000034122_100011215043 [0,1,0,0,0,0|3,0,0]=4 6138 B12R1.267 OCCCSc1ncccc1O 62a_100011215043_100000034122 [0,1,0,0,0,0|3,0,0]=4 6139 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,1,0,0,0,0|2,0,0]=3 6140 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,1,0,0,0,0|2,0,0]=3 6141 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,1,0,0,0,0|2,0,0]=3 6142 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,1,0,0,0,0|2,0,0]=3 6143 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,1,0,0,0,0|2,0,0]=3 6144 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,1,0,0,0,0|2,0,0]=3 6145 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,1,0,0,0,0|2,0,0]=3 6146 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,1,0,0,0,0|2,0,0]=3 6147 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,1,0,0,0,0|2,0,0]=3 6148 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,1,0,0,0,0|2,0,0]=3 6149 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,1,0,0,0,0|2,0,0]=3 6150 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,1,0,0,0,0|2,0,0]=3 6151 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,1,0,0,0,0|2,0,0]=3 6152 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,1,0,0,0,0|2,0,0]=3 6153 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,1,0,0,0,0|2,0,0]=3 6154 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,1,0,0,0,0|2,0,0]=3 6155 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,1,0,0,0,0|2,0,0]=3 6156 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,1,0,0,0,0|2,0,0]=3 6157 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,1,0,0,0,0|2,0,0]=3 6158 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,1,0,0,0,0|2,0,0]=3 6159 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,1,0,0,0,0|2,0,0]=3 6160 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,1,0,0,0,0|2,0,0]=3 6161 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,1,0,0,0,0|2,0,0]=3 6162 B12R1.267 OCCNCc1cccnc1Br 2230a_100009818023_100000211926 [0,1,0,0,0,0|3,0,0]=4 6163 B12R1.267 OCCNCc1cccnc1Br 2230a_100016997473_100010140945 [0,1,0,0,0,0|3,0,0]=4 6164 B12R1.267 OCCNCc1cccnc1Br 34a_100009818023_100000211926 [0,1,0,0,0,0|3,0,0]=4 6165 B12R1.267 OCCNCc1cccnc1Br 34a_100016990907_100010140945 [0,1,0,0,0,0|3,0,0]=4 6166 B12R1.267 OCCNCc1cccnc1Cl 2230a_100015189234_100000211926 [0,1,0,0,0,0|3,0,0]=4 6167 B12R1.267 OCCNCc1cccnc1Cl 2230a_100016997473_100000045678 [0,1,0,0,0,0|3,0,0]=4 6168 B12R1.267 OCCNCc1cccnc1Cl 34a_100015189234_100000211926 [0,1,0,0,0,0|3,0,0]=4 6169 B12R1.267 OCCNCc1cccnc1Cl 34a_100016990907_100000045678 [0,1,0,0,0,0|3,0,0]=4 6170 B12R1.267 OCCNCc1cccnc1F 2230a_100016997473_100000099810 [0,1,0,0,0,0|3,0,0]=4 6171 B12R1.267 OCCNCc1cccnc1F 34a_100000724633_100000211926 [0,1,0,0,0,0|3,0,0]=4 6172 B12R1.267 OCCNCc1cccnc1F 34a_100016990907_100000099810 [0,1,0,0,0,0|3,0,0]=4 6173 B12R1.267 OCCNCc1cccnc1O 207a_100000210304_100011998315 [0,1,0,0,0,0|3,0,0]=4 6174 B12R1.267 OCCNCc1cccnc1O 270004a_100000210304_100011998315 [0,1,0,0,0,0|3,0,0]=4 6175 B12R1.267 OCCNCc1ccncc1Br 270004a_100000210304_100000755692 [0,1,0,0,0,0|3,0,0]=4 6176 B12R1.267 OCCNCc1ccncc1Cl 207a_100000210304_100011934409 [0,1,0,0,0,0|3,0,0]=4 6177 B12R1.267 OCCNCc1ccncc1Cl 2230a_100016997473_100000763264 [0,1,0,0,0,0|3,0,0]=4 6178 B12R1.267 OCCNCc1ccncc1Cl 270004a_100000210304_100011934409 [0,1,0,0,0,0|3,0,0]=4 6179 B12R1.267 OCCNCc1ccncc1F 34a_100011935246_100000211926 [0,1,0,0,0,0|3,0,0]=4 6180 B12R1.267 OCCNCc1cnccc1Br 270004a_100000210304_100009816821 [0,1,0,0,0,0|3,0,0]=4 6181 B12R1.267 OCCNCc1cnccc1Cl 270004a_100000210304_100000050567 [0,1,0,0,0,0|3,0,0]=4 6182 B12R1.267 OCCNCc1ncccc1Br 207a_100000210304_100011934733 [0,1,0,0,0,0|3,0,0]=4 6183 B12R1.267 OCCNCc1ncccc1Br 2230a_100016997473_100025702911 [0,1,0,0,0,0|3,0,0]=4 6184 B12R1.267 OCCNCc1ncccc1Br 270004a_100000210304_100011934733 [0,1,0,0,0,0|3,0,0]=4 6185 B12R1.267 OCCNCc1ncccc1Br 34a_100016990907_100025702911 [0,1,0,0,0,0|3,0,0]=4 6186 B12R1.267 OCCNCc1ncccc1Cl 207a_100000210304_100012001307 [0,1,0,0,0,0|3,0,0]=4 6187 B12R1.267 OCCNCc1ncccc1Cl 2230a_100015189233_100000211926 [0,1,0,0,0,0|3,0,0]=4 6188 B12R1.267 OCCNCc1ncccc1Cl 2230a_100016997473_100000099807 [0,1,0,0,0,0|3,0,0]=4 6189 B12R1.267 OCCNCc1ncccc1Cl 270004a_100000210304_100012001307 [0,1,0,0,0,0|3,0,0]=4 6190 B12R1.267 OCCNCc1ncccc1F 207a_100000210304_100011934734 [0,1,0,0,0,0|3,0,0]=4 6191 B12R1.267 OCCNCc1ncccc1F 2230a_100016997473_100000104219 [0,1,0,0,0,0|3,0,0]=4 6192 B12R1.267 OCCNCc1ncccc1F 270004a_100000210304_100011934734 [0,1,0,0,0,0|3,0,0]=4 6193 B12R1.267 OCCNCc1ncccc1F 34a_100000690088_100000211926 [0,1,0,0,0,0|3,0,0]=4 6194 B12R1.267 OCCNCc1ncccc1F 34a_100016990907_100000104219 [0,1,0,0,0,0|3,0,0]=4 6195 B12R1.267 OCCNCc1ncccc1O 34a_100016990907_200020655725 [0,1,0,0,0,0|3,0,0]=4 6196 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,1,0,0,0,0|2,0,0]=3 6197 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,1,0,0,0,0|2,0,0]=3 6198 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,1,0,0,0,0|2,0,0]=3 6199 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,1,0,0,0,0|2,0,0]=3 6200 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,1,0,0,0,0|2,0,0]=3 6201 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,1,0,0,0,0|2,0,0]=3 6202 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,1,0,0,0,0|2,0,0]=3 6203 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,1,0,0,0,0|2,0,0]=3 6204 B12R1.267 OCCOCc1cccnc1Br 34a_100000719692_100000211926 [0,1,0,0,0,0|3,0,0]=4 6205 B12R1.267 OCCOCc1cccnc1Br 7a_100000719692_100000211926 [0,1,0,0,0,0|3,0,0]=4 6206 B12R1.267 OCCOCc1cccnc1Cl 34a_100000748726_100000211926 [0,1,0,0,0,0|3,0,0]=4 6207 B12R1.267 OCCOCc1cccnc1Cl 7a_100000748726_100000211926 [0,1,0,0,0,0|3,0,0]=4 6208 B12R1.267 OCCOCc1cccnc1F 34a_100000079888_100000211926 [0,1,0,0,0,0|3,0,0]=4 6209 B12R1.267 OCCOCc1cccnc1F 7a_100000079888_100000211926 [0,1,0,0,0,0|3,0,0]=4 6210 B12R1.267 OCCOCc1ccncc1F 34a_100012172863_100000211926 [0,1,0,0,0,0|3,0,0]=4 6211 B12R1.267 OCCOCc1cnccc1Cl 34a_100000117392_100000211926 [0,1,0,0,0,0|3,0,0]=4 6212 B12R1.267 OCCOCc1ncccc1Br 34a_100011996772_100000211926 [0,1,0,0,0,0|3,0,0]=4 6213 B12R1.267 OCCOCc1ncccc1Cl 34a_100012002383_100000211926 [0,1,0,0,0,0|3,0,0]=4 6214 B12R1.267 OCCOCc1ncccc1F 34a_100011934865_100000211926 [0,1,0,0,0,0|3,0,0]=4 6215 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [0,1,0,0,0,0|2,0,0]=3 6216 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [0,1,0,0,0,0|2,0,0]=3 6217 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [0,1,0,0,0,0|2,0,0]=3 6218 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [0,1,0,0,0,0|2,0,0]=3 6219 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [0,1,0,0,0,0|2,0,0]=3 6220 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [0,1,0,0,0,0|2,0,0]=3 6221 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [0,1,0,0,0,0|2,0,0]=3 6222 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [0,1,0,0,0,0|2,0,0]=3 6223 B12R1.267 OCCSCc1cccnc1Br 62a_100000211926_100010140945 [0,1,0,0,0,0|3,0,0]=4 6224 B12R1.267 OCCSCc1cccnc1Br 62a_100010140945_100000211926 [0,1,0,0,0,0|3,0,0]=4 6225 B12R1.267 OCCSCc1cccnc1Cl 62a_100000045678_100000211926 [0,1,0,0,0,0|3,0,0]=4 6226 B12R1.267 OCCSCc1cccnc1Cl 62a_100000211926_100000045678 [0,1,0,0,0,0|3,0,0]=4 6227 B12R1.267 OCCSCc1cccnc1F 62a_100000099810_100000211926 [0,1,0,0,0,0|3,0,0]=4 6228 B12R1.267 OCCSCc1cccnc1F 62a_100000211926_100000099810 [0,1,0,0,0,0|3,0,0]=4 6229 B12R1.267 OCCSCc1ccncc1Cl 62a_100000211926_100000763264 [0,1,0,0,0,0|3,0,0]=4 6230 B12R1.267 OCCSCc1ccncc1Cl 62a_100000763264_100000211926 [0,1,0,0,0,0|3,0,0]=4 6231 B12R1.267 OCCSCc1ncccc1Br 62a_100000211926_100025702911 [0,1,0,0,0,0|3,0,0]=4 6232 B12R1.267 OCCSCc1ncccc1Br 62a_100025702911_100000211926 [0,1,0,0,0,0|3,0,0]=4 6233 B12R1.267 OCCSCc1ncccc1Cl 62a_100000099807_100000211926 [0,1,0,0,0,0|3,0,0]=4 6234 B12R1.267 OCCSCc1ncccc1Cl 62a_100000211926_100000099807 [0,1,0,0,0,0|3,0,0]=4 6235 B12R1.267 OCCSCc1ncccc1F 62a_100000104219_100000211926 [0,1,0,0,0,0|3,0,0]=4 6236 B12R1.267 OCCSCc1ncccc1F 62a_100000211926_100000104219 [0,1,0,0,0,0|3,0,0]=4 6237 B12R1.267 OCCSCc1ncccc1O 62a_100000211926_200020655725 [0,1,0,0,0,0|3,0,0]=4 6238 B12R1.267 OCCSCc1ncccc1O 62a_200020655725_100000211926 [0,1,0,0,0,0|3,0,0]=4 6239 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,1,0,0,0,0|2,0,0]=3 6240 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [0,1,0,0,0,0|2,0,0]=3 6241 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [0,1,0,0,0,0|2,0,0]=3 6242 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,1,0,0,0,0|2,0,0]=3 6243 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [0,1,0,0,0,0|2,0,0]=3 6244 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [0,1,0,0,0,0|2,0,0]=3 6245 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [0,1,0,0,0,0|2,0,0]=3 6246 B12R1.267 Oc1cccnc1CNCCF 34a_100000724931_200020655725 [0,1,0,0,0,0|3,0,0]=4 6247 B12R1.267 Oc1cccnc1COCCBr 34a_100000211926_200020655725 [0,1,0,0,0,0|3,0,0]=4 6248 B12R1.267 Oc1cccnc1CSCCF 62a_100011217306_200020655725 [0,1,0,0,0,0|3,0,0]=4 6249 B12R1.267 Oc1cccnc1CSCCF 62a_200020655725_100011217306 [0,1,0,0,0,0|3,0,0]=4 6250 B12R1.267 Oc1cccnc1SCCCF 62a_100000034122_100011934791 [0,1,0,0,0,0|3,0,0]=4 6251 B12R1.267 Oc1cccnc1SCCCF 62a_100011934791_100000034122 [0,1,0,0,0,0|3,0,0]=4 6252 B12R1.267 Oc1cnccc1SCCCF 62a_100009817591_100011934791 [0,1,0,0,0,0|3,0,0]=4 6253 B12R1.267 Oc1cnccc1SCCCF 62a_100011934791_100009817591 [0,1,0,0,0,0|3,0,0]=4 6254 B12R1.267 Oc1ncccc1SCCCF 62a_100000760158_100011934791 [0,1,0,0,0,0|3,0,0]=4 6255 B12R1.267 Oc1ncccc1SCCCF 62a_100011934791_100000760158 [0,1,0,0,0,0|3,0,0]=4 6256 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,1,0,0,0,0|2,0,0]=3 6257 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,1,0,0,0,0|2,0,0]=3 6258 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,1,0,0,0,0|3,0,0]=4 6259 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,1,0,0,0,0|3,0,0]=4 6260 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,1,0,0,0,0|3,0,0]=4 6261 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,1,0,0,0,0|3,0,0]=4 6262 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,1,0,0,0,0|3,0,0]=4 6263 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,1,0,0,0,0|3,0,0]=4 6264 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,1,0,0,0,0|2,0,0]=3 6265 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,1,0,0,0,0|2,0,0]=3 6266 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,1,0,0,0,0|2,0,0]=3 6267 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,1,0,0,0,0|2,0,0]=3 6268 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,1,0,0,0,0|2,0,0]=3 6269 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,1,0,0,0,0|2,0,0]=3 6270 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [0,1,0,0,0,0|3,0,0]=4 6271 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,1,0,0,0,0|3,0,0]=4 6272 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,1,0,0,0,0|3,0,0]=4 6273 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,1,0,0,0,0|3,0,0]=4 6274 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,1,0,0,0,0|3,0,0]=4 6275 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,1,0,0,0,0|3,0,0]=4 6276 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,1,0,0,0,0|3,0,0]=4 6277 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,1,0,0,0,0|3,0,0]=4 6278 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [0,1,0,0,0,0|3,0,0]=4 6279 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [0,1,0,0,0,0|3,0,0]=4 6280 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [0,1,0,0,0,0|3,0,0]=4 6281 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [0,1,0,0,0,0|3,0,0]=4 6282 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [0,1,0,0,0,0|3,0,0]=4 6283 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [0,1,0,0,0,0|3,0,0]=4 6284 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,1,0,0,0,0|2,0,0]=3 6285 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,1,0,0,0,0|2,0,0]=3 6286 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,1,0,0,0,0|3,0,0]=4 6287 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,1,0,0,0,0|3,0,0]=4 6288 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,1,0,0,0,0|3,0,0]=4 6289 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,1,0,0,0,0|3,0,0]=4 6290 B12R1.267 [O-][n+]1ccccc1OCCCF 7a_100000211761_100011934791 [0,1,0,0,0,0|3,0,0]=4 6291 B12R1.267 [O-][n+]1ccccc1OCCCO 7a_100000211761_100011215043 [0,1,0,0,0,0|3,0,0]=4 6292 B12R1.267 [O-][n+]1ccccc1SCCCF 62a_100011934791_200000042595 [0,1,0,0,0,0|3,0,0]=4 6293 B12R1.267 [O-][n+]1ccccc1SCCCO 62a_100011215043_200000042595 [0,1,0,0,0,0|3,0,0]=4 6294 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [0,0,1,0,0,0|2,0,1]=4 6295 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [0,0,1,0,0,0|1,0,2]=4 6296 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,0,1,0,0,0|2,0,1]=4 6297 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,0,1,0,0,0|2,0,0]=3 6298 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,0,1,0,0,0|2,0,0]=3 6299 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,0,1,0,0,0|2,0,0]=3 6300 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,0,1,0,0,0|3,0,0]=4 6301 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,0,1,0,0,0|3,0,0]=4 6302 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,0,1,0,0,0|3,0,0]=4 6303 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,0,1,0,0,0|3,0,0]=4 6304 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [0,0,1,0,0,0|3,0,0]=4 6305 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,0,1,0,0|2,0,0]=3 6306 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,0,1,0,0|2,0,0]=3 6307 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,0,0,1,0,0|3,0,0]=4 6308 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,0,1,0,0|2,0,0]=3 6309 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,0,1,0,0|2,0,0]=3 6310 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,0,1,0,0|2,0,0]=3 6311 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,0,1,0,0|2,0,0]=3 6312 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,0,1,0,0|2,0,0]=3 6313 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,0,0,1,0,0|3,0,0]=4 6314 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,0,1,0,0|2,0,0]=3 6315 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,0,1,0,0|2,0,0]=3 6316 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,0,1,0,0|2,0,0]=3 6317 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,0,1,0,0|2,0,0]=3 6318 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,0,1,0,0|2,0,0]=3 6319 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,0|1,0,1]=3 6320 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,0,0,1,0,0|2,0,1]=4 6321 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,0,0,1,0,0|2,0,1]=4 6322 B12R2.2 C1=C(CCC1)c2ccncc2 271570a_100000089523_100000035832 [0,0,0,1,0,0|2,0,1]=4 6323 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,0,0,1,0,0|2,0,1]=4 6324 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,0,0,1,0,0|2,0,1]=4 6325 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 6326 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 6327 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 6328 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 6329 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 6330 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 6331 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 6332 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 6333 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 6334 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 6335 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,0|2,0,0]=3 6336 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,0|2,0,0]=3 6337 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,0|2,0,0]=3 6338 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,0|2,0,0]=3 6339 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,1,0,0|2,0,0]=3 6340 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,1,0,0|2,0,0]=3 6341 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,0,0,1,0,0|2,0,0]=3 6342 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,0,0,1,0,0|2,0,0]=3 6343 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,0,0,1,0,0|2,0,0]=3 6344 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,0,0,1,0,0|2,0,0]=3 6345 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,0,0,1,0,0|2,0,0]=3 6346 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,0,0,1,0,0|2,0,0]=3 6347 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [0,0,0,1,0,0|1,0,2]=4 6348 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,0,0,1,0,0|1,0,2]=4 6349 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [0,0,0,1,0,0|3,0,0]=4 6350 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [0,0,0,1,0,0|3,0,0]=4 6351 B12R2.2057 c1cc(ccn1)OCC2CO2 34a_100000212176_102125554688 [0,0,0,1,0,0|3,0,0]=4 6352 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000728582_100000742324 [0,0,0,1,0,0|3,0,0]=4 6353 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000756562_100000728582 [0,0,0,1,0,0|3,0,0]=4 6354 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_100000728582_102125554688 [0,0,0,1,0,0|3,0,0]=4 6355 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_102125554688_100000728582 [0,0,0,1,0,0|3,0,0]=4 6356 B12R2.2057 c1cc(ccn1)SCC2CS2 62a_100000031435_100000728582 [0,0,0,1,0,0|3,0,0]=4 6357 B12R2.2057 c1cc(ccn1)SCC2CS2 62a_100000728582_100000031435 [0,0,0,1,0,0|3,0,0]=4 6358 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000728582_100000745022 [0,0,0,1,0,0|3,0,0]=4 6359 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000728582 [0,0,0,1,0,0|3,0,0]=4 6360 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,0,1,0,0|2,0,0]=3 6361 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,0,1,0,0|2,0,0]=3 6362 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,1,0,0|2,0,0]=3 6363 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,0,1,0,0|2,0,0]=3 6364 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,0,0,1,0,0|2,0,0]=3 6365 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,0,0,1,0,0|2,0,0]=3 6366 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,1,0,0|2,0,0]=3 6367 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,1,0,0|2,0,0]=3 6368 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,0,0,1,0,0|2,0,0]=3 6369 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,0,0,1,0,0|2,0,0]=3 6370 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,0,0,1,0,0|2,0,0]=3 6371 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,0,0,1,0,0|2,0,0]=3 6372 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,0,0,1,0,0|2,0,0]=3 6373 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,0,0,1,0,0|2,0,0]=3 6374 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,0,0,1,0,0|2,0,0]=3 6375 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,0,0,1,0,0|2,0,0]=3 6376 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,0,0,1,0,0|2,0,0]=3 6377 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,0,0,1,0,0|2,0,0]=3 6378 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,0,0,1,0,0|2,0,0]=3 6379 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,0,0,1,0,0|2,0,0]=3 6380 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,0,1,0,0|3,0,0]=4 6381 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,0,0,1,0,0|3,0,0]=4 6382 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,0,0,1,0,0|3,0,0]=4 6383 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,0,0,1,0,0|3,0,0]=4 6384 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,0,0,1,0,0|3,0,0]=4 6385 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,0,0,1,0,0|3,0,0]=4 6386 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100000031435_100011216584 [0,0,0,1,0,0|3,0,0]=4 6387 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100011216584_100000031435 [0,0,0,1,0,0|3,0,0]=4 6388 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,0,0,1,0,0|3,0,0]=4 6389 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,0,0,1,0,0|3,0,0]=4 6390 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,0,0,1,0,0|3,0,0]=4 6391 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,0,0,1,0,0|3,0,0]=4 6392 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,0,0,1,0,0|3,0,0]=4 6393 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,0,0,1,0,0|3,0,0]=4 6394 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [0,0,0,1,0,0|3,0,0]=4 6395 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [0,0,0,1,0,0|3,0,0]=4 6396 B12R2.2057 c1cncc(c1)OCC2CS2 7a_100000210849_100000031435 [0,0,0,1,0,0|3,0,0]=4 6397 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [0,0,0,1,0,0|3,0,0]=4 6398 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [0,0,0,1,0,0|3,0,0]=4 6399 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [0,0,0,1,0,0|3,0,0]=4 6400 B12R2.2057 c1cncc(c1)SCC2CO2 62a_100000210063_102125554688 [0,0,0,1,0,0|3,0,0]=4 6401 B12R2.2057 c1cncc(c1)SCC2CO2 62a_102125554688_100000210063 [0,0,0,1,0,0|3,0,0]=4 6402 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000031435_100000210063 [0,0,0,1,0,0|3,0,0]=4 6403 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000210063_100000031435 [0,0,0,1,0,0|3,0,0]=4 6404 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000210063_100000745022 [0,0,0,1,0,0|3,0,0]=4 6405 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000210063 [0,0,0,1,0,0|3,0,0]=4 6406 B12R2.2058 c1cc(ccn1)CN2CCC2 269982a_100000754969_100015193705 [0,0,0,1,0,0|3,0,0]=4 6407 B12R2.2058 c1cc(ccn1)OC2CCC2 34a_100000212176_100000749161 [0,0,0,1,0,0|3,0,0]=4 6408 B12R2.2058 c1cc(ccn1)SC2CCC2 62a_100000728582_100000749161 [0,0,0,1,0,0|3,0,0]=4 6409 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,0,1,0,0|2,0,0]=3 6410 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,0,0,1,0,0|2,0,0]=3 6411 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,0,0,1,0,0|3,0,0]=4 6412 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,0,1,0,0|2,0,0]=3 6413 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,0,0,1,0,0|3,0,0]=4 6414 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,0,0,1,0,0|3,0,0]=4 6415 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,0,0,1,0,0|2,0,0]=3 6416 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,0,0,1,0,0|3,0,0]=4 6417 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,0,0,1,0,0|3,0,0]=4 6418 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,0,0,1,0,0|3,0,0]=4 6419 B12R2.2058 c1cncc(c1)CN2CCC2 269982a_100000754969_100000733263 [0,0,0,1,0,0|3,0,0]=4 6420 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [0,0,0,1,0,0|3,0,0]=4 6421 B12R2.2058 c1cncc(c1)SC2CCC2 62a_100000210063_100000749161 [0,0,0,1,0,0|3,0,0]=4 6422 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [0,0,0,0,1,0|3,0,0]=4 6423 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,0,0,0,1,0|3,0,0]=4 6424 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,0,0,0,1,0|3,0,0]=4 6425 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,0,0,0,1,0|3,0,0]=4 6426 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,0,0,0,1,0|3,0,0]=4 6427 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,0,0,0,1,0|3,0,0]=4 6428 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,0,0,0,1,0|3,0,0]=4 6429 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,0,0,0,1,0|3,0,0]=4 6430 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,0,0,0,1,0|3,0,0]=4 6431 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,0,0,0,1,0|3,0,0]=4 6432 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,0,0,0,1,0|3,0,0]=4 6433 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,0,0,0,1,0|3,0,0]=4 6434 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,0,0,0,1,0|3,0,0]=4 6435 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,0,0,0,1,0|3,0,0]=4 6436 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,0,0,0,1,0|3,0,0]=4 6437 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,0,0,0,1,0|3,0,0]=4 6438 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,0,0,0,1,0|3,0,0]=4 6439 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,0,0,0,1,0|3,0,0]=4 6440 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,0,0,0,1,0|3,0,0]=4 6441 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,0,0,0,1,0|3,0,0]=4 6442 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,0,0,0,1,0|3,0,0]=4 6443 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,0,0,0,1,0|3,0,0]=4 6444 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,0,0,0,1,0|3,0,0]=4 6445 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,0,0,0,1,0|3,0,0]=4 6446 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,0,0,0,1,0|3,0,0]=4 6447 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,0,0,0,1,0|3,0,0]=4 6448 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,0,0,0,1,0|3,0,0]=4 6449 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,0,0,0,1,0|3,0,0]=4 6450 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,0,0,0,1,0|3,0,0]=4 6451 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,0,0,0,1,0|3,0,0]=4 6452 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,0,0,0,1,0|3,0,0]=4 6453 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,0,0,0,1,0|3,0,0]=4 6454 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,0,0,0,1,0|3,0,0]=4 6455 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,0,0,0,1,0|3,0,0]=4 6456 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,0,0,0,1,0|3,0,0]=4 6457 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,0,0,0,1,0|3,0,0]=4 6458 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,0,0,0,1,0|3,0,0]=4 6459 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,0,0,0,1,0|3,0,0]=4 6460 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,0,0,0,1,0|3,0,0]=4 6461 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,0,0,0,1,0|3,0,0]=4 6462 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,0,0,0,1,0|3,0,0]=4 6463 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,0,0,0,1,0|3,0,0]=4 6464 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,0,0,0,1,0|3,0,0]=4 6465 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,0,0,0,1,0|3,0,0]=4 6466 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,0,0,0,1,0|3,0,0]=4 6467 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,0,0,0,1,0|3,0,0]=4 6468 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [0,0,0,0,1,0|3,0,0]=4 6469 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,0,0,0,1,0|3,0,0]=4 6470 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,0,0,0,1,0|3,0,0]=4 6471 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,0,0,0,1,0|3,0,0]=4 6472 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,0,0,0,1,0|3,0,0]=4 6473 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,0,0,0,1,0|3,0,0]=4 6474 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,0,0,0,1,0|3,0,0]=4 6475 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,0,0,0,1,0|3,0,0]=4 6476 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,0,0,0,1,0|3,0,0]=4 6477 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,0,0,0,1,0|3,0,0]=4 6478 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,0,0,0,1,0|3,0,0]=4 6479 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,0,0,0,1,0|3,0,0]=4 6480 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,0,0,0,1,0|3,0,0]=4 6481 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,0,0,0,1,0|3,0,0]=4 6482 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,0,0,0,1,0|3,0,0]=4 6483 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,0,0,0,1,0|3,0,0]=4 6484 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,0,0,0,1,0|3,0,0]=4 6485 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,0,0,0,1,0|3,0,0]=4 6486 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,0,0,0,1,0|3,0,0]=4 6487 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,0,0,0,1,0|3,0,0]=4 6488 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,0,0,0,1,0|3,0,0]=4 6489 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,0,0,0,1,0|3,0,0]=4 6490 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,0,0,0,1,0|3,0,0]=4 6491 B10R1.21 FCCCOc1ccsc1 34a_100000106738_100011934791 [0,0,0,0,1,0|3,0,0]=4 6492 B10R1.21 FCCCOc1ccsc1 7a_100000106738_100011934791 [0,0,0,0,1,0|3,0,0]=4 6493 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,0,0,0,1,0|3,0,0]=4 6494 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,0,0,0,1,0|3,0,0]=4 6495 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,0,0,0,1,0|3,0,0]=4 6496 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,0,0,0,1,0|3,0,0]=4 6497 B10R1.21 FCCCSc1ccoc1 62a_100011215275_100011934791 [0,0,0,0,1,0|3,0,0]=4 6498 B10R1.21 FCCCSc1ccoc1 62a_100011934791_100011215275 [0,0,0,0,1,0|3,0,0]=4 6499 B10R1.21 FCCCSc1ccsc1 62a_100000738268_100011934791 [0,0,0,0,1,0|3,0,0]=4 6500 B10R1.21 FCCCSc1ccsc1 62a_100011934791_100000738268 [0,0,0,0,1,0|3,0,0]=4 6501 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,0,0,0,1,0|3,0,0]=4 6502 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,0,0,0,1,0|3,0,0]=4 6503 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,0,0,0,1,0|3,0,0]=4 6504 B10R1.21 FCCNCc1ccoc1 2230a_100015206860_100011217306 [0,0,0,0,1,0|3,0,0]=4 6505 B10R1.21 FCCNCc1ccoc1 34a_100015206860_100011217306 [0,0,0,0,1,0|3,0,0]=4 6506 B10R1.21 FCCNCc1ccsc1 2230a_100000186416_100011217306 [0,0,0,0,1,0|3,0,0]=4 6507 B10R1.21 FCCNCc1ccsc1 34a_100000186416_100011217306 [0,0,0,0,1,0|3,0,0]=4 6508 B10R1.21 FCCNCc1ccsc1 34a_100000724931_100011261437 [0,0,0,0,1,0|3,0,0]=4 6509 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,0,0,0,1,0|3,0,0]=4 6510 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,0,0,0,1,0|3,0,0]=4 6511 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [0,0,0,0,1,0|3,0,0]=4 6512 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [0,0,0,0,1,0|3,0,0]=4 6513 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [0,0,0,0,1,0|3,0,0]=4 6514 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [0,0,0,0,1,0|3,0,0]=4 6515 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,0,0,0,1,0|3,0,0]=4 6516 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,0,0,0,1,0|3,0,0]=4 6517 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,0,0,0,1,0|3,0,0]=4 6518 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,0,0,0,1,0|3,0,0]=4 6519 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,0,0,0,1,0|3,0,0]=4 6520 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,0,0,0,1,0|3,0,0]=4 6521 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [0,0,0,0,1,0|3,0,0]=4 6522 B10R1.21 FCOCCn1cccc1 34a_100000179382_100015361967 [0,0,0,0,1,0|3,0,0]=4 6523 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,0,0,0,1,0|3,0,0]=4 6524 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,0,0,0,1,0|3,0,0]=4 6525 B10R1.21 FCSCCn1cccc1 62a_100015361967_200000035178 [0,0,0,0,1,0|3,0,0]=4 6526 B10R1.21 FCSCCn1cccc1 62a_200009811947_100015361967 [0,0,0,0,1,0|3,0,0]=4 6527 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [0,0,0,0,1,0|3,0,0]=4 6528 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [0,0,0,0,1,0|3,0,0]=4 6529 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [0,0,0,0,1,0|3,0,0]=4 6530 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,0,0,0,1,0|2,0,0]=3 6531 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [0,0,0,0,1,0|3,0,0]=4 6532 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [0,0,0,0,1,0|3,0,0]=4 6533 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,0,0,0,1,0|3,0,0]=4 6534 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [0,0,0,0,1,0|3,0,0]=4 6535 B10R1.21 NCCOCc1nccs1 34a_100000210304_100015184050 [0,0,0,0,1,0|3,0,0]=4 6536 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [0,0,0,0,1,0|3,0,0]=4 6537 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [0,0,0,0,1,0|3,0,0]=4 6538 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,0,0,0,1,0|3,0,0]=4 6539 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,0,0,0,1,0|3,0,0]=4 6540 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,0,0,0,1,0|3,0,0]=4 6541 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,0,0,0,1,0|3,0,0]=4 6542 B10R1.21 OCCCSc1ccoc1 62a_100011215043_100011215275 [0,0,0,0,1,0|3,0,0]=4 6543 B10R1.21 OCCCSc1ccoc1 62a_100011215275_100011215043 [0,0,0,0,1,0|3,0,0]=4 6544 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [0,0,0,0,1,0|3,0,0]=4 6545 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [0,0,0,0,1,0|3,0,0]=4 6546 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,0,0,0,1,0|3,0,0]=4 6547 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,0,0,0,1,0|3,0,0]=4 6548 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,0,0,0,1,0|3,0,0]=4 6549 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,0,0,0,1,0|3,0,0]=4 6550 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,0,0,0,1,0|3,0,0]=4 6551 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,0,0,0,1,0|3,0,0]=4 6552 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,0,0,0,1,0|3,0,0]=4 6553 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [0,0,0,0,1,0|3,0,0]=4 6554 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [0,0,0,0,1,0|3,0,0]=4 6555 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [0,0,0,0,1,0|3,0,0]=4 6556 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [0,0,0,0,1,0|3,0,0]=4 6557 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [0,0,0,0,1,0|3,0,0]=4 6558 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [0,0,0,0,1,0|3,0,0]=4 6559 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [0,0,0,0,1,0|3,0,0]=4 6560 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [0,0,0,0,1,0|3,0,0]=4 6561 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [0,0,0,0,1,0|3,0,0]=4 6562 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [0,0,0,0,1,0|3,0,0]=4 6563 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,0,0,0,1,0|3,0,0]=4 6564 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,0,0,0,1,0|3,0,0]=4 6565 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [0,0,0,0,1,0|3,0,0]=4 6566 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [0,0,0,0,1,0|3,0,0]=4 6567 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,0,0,0,1,0|3,0,0]=4 6568 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,0,0,0,1,0|3,0,0]=4 6569 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,0,0,0,1,0|3,0,0]=4 6570 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,0,0,0,1,0|3,0,0]=4 6571 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,0,0,0,1,0|3,0,0]=4 6572 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,0,0,0,1,0|3,0,0]=4 6573 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,0,0,0,1,0|3,0,0]=4 6574 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,0,0,0,1,0|3,0,0]=4 6575 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,0,0,0,1,0|3,0,0]=4 6576 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,0,0,0,1,0|3,0,0]=4 6577 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,0,0,0,1,0|3,0,0]=4 6578 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,0,0,0,1,0|3,0,0]=4 6579 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|1,0,0]=3 6580 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,0,1,0,0,0|2,0,0]=4 6581 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,1,0,0,0|2,0,0]=4 6582 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|2,0,0]=4 6583 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,1,0,0,0|2,0,0]=4 6584 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [1,0,1,0,0,0|2,0,0]=4 6585 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 6586 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 6587 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 6588 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 6589 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 6590 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 6591 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 6592 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 6593 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 6594 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 6595 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 6596 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 6597 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 6598 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 6599 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 6600 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 6601 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 6602 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 6603 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 6604 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 6605 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 6606 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 6607 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 6608 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 6609 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 6610 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 6611 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 6612 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 6613 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 6614 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 6615 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 6616 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 6617 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 6618 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 6619 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 6620 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 6621 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 6622 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 6623 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 6624 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 6625 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 6626 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 6627 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 6628 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 6629 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 6630 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 6631 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 6632 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 6633 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 6634 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 6635 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 6636 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 6637 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 6638 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 6639 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 6640 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 6641 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 6642 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 6643 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 6644 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 6645 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 6646 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 6647 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 6648 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 6649 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 6650 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,1,1,0,0,0|1,0,1]=4 6651 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,1,1,0,0,0|1,0,1]=4 6652 B11R0.81 C=CC=CC(=O)CCCCCF 1458a_100016291481_100000729378 [0,1,1,0,0,0|1,0,1]=4 6653 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [0,1,1,0,0,0|1,0,1]=4 6654 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,1,1,0,0,0|2,0,0]=4 6655 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,1,0,0,0|1,0,1]=4 6656 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [0,1,1,0,0,0|1,0,1]=4 6657 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,1,1,0,0,0|1,0,1]=4 6658 B11R0.5 C=CC=CC(=O)CC(C)CCC 1458a_100016291481_100011216630 [0,1,1,0,0,0|2,0,0]=4 6659 B11R0.11 C=CC=CC(=O)C(C)CCCC 1458a_100016291481_200011215066 [0,1,1,0,0,0|2,0,0]=4 6660 B11R0.147 C=CC=CC(=O)CCCC(=O)N 1458a_100016291481_100102525003 [0,1,1,0,0,0|1,0,1]=4 6661 B11R0.147 C=CC=CC(=O)CCCC(C)C 1458a_100016291481_100011214892 [0,1,1,0,0,0|2,0,0]=4 6662 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [0,1,1,0,0,0|2,0,0]=4 6663 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|1,0,0]=3 6664 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|1,0,0]=3 6665 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [1,1,0,0,0,0|2,0,0]=4 6666 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|0,0,0]=2 6667 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|0,0,0]=2 6668 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|0,0,0]=2 6669 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|0,0,0]=2 6670 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|0,0,0]=2 6671 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|0,0,0]=2 6672 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|0,0,0]=2 6673 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|1,0,0]=3 6674 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|1,0,0]=3 6675 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|1,0,0]=3 6676 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|1,0,0]=3 6677 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|1,0,0]=3 6678 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|1,0,0]=3 6679 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|1,0,0]=3 6680 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|1,0,0]=3 6681 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|1,0,0]=3 6682 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|1,0,0]=3 6683 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|1,0,0]=3 6684 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [1,1,0,0,0,0|2,0,0]=4 6685 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [1,1,0,0,0,0|2,0,0]=4 6686 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [1,1,0,0,0,0|2,0,0]=4 6687 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [1,1,0,0,0,0|2,0,0]=4 6688 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [1,1,0,0,0,0|2,0,0]=4 6689 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [1,1,0,0,0,0|2,0,0]=4 6690 B11R1.1 CCCCc1cnc(nc1)Br 271570a_100020621405_200012349914 [1,1,0,0,0,0|2,0,0]=4 6691 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [1,1,0,0,0,0|2,0,0]=4 6692 B11R1.1 CCCCc1cnc(nc1)F 271570a_100020621405_100000685262 [1,1,0,0,0,0|2,0,0]=4 6693 B11R1.1 CCCCc1cnc(nc1)N 271570a_100020621405_100000760574 [1,1,0,0,0,0|2,0,0]=4 6694 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [1,1,0,0,0,0|2,0,0]=4 6695 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [1,1,0,0,0,0|2,0,0]=4 6696 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [1,1,0,0,0,0|2,0,0]=4 6697 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [1,1,0,0,0,0|2,0,0]=4 6698 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [1,1,0,0,0,0|2,0,0]=4 6699 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [1,1,0,0,0,0|2,0,0]=4 6700 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|1,0,0]=3 6701 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|1,0,0]=3 6702 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|1,0,0]=3 6703 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|1,0,0]=3 6704 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|1,0,0]=3 6705 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|1,0,0]=3 6706 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|1,0,0]=3 6707 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,0]=3 6708 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [1,1,0,0,0,0|2,0,0]=4 6709 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|1,0,0]=3 6710 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|1,0,0]=3 6711 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|1,0,0]=3 6712 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|1,0,0]=3 6713 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|1,0,0]=3 6714 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|1,0,0]=3 6715 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|1,0,0]=3 6716 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|1,0,0]=3 6717 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|1,0,0]=3 6718 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,0]=3 6719 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|1,0,0]=3 6720 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [1,1,0,0,0,0|2,0,0]=4 6721 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [1,1,0,0,0,0|2,0,0]=4 6722 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [1,1,0,0,0,0|2,0,0]=4 6723 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [1,1,0,0,0,0|2,0,0]=4 6724 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [1,1,0,0,0,0|2,0,0]=4 6725 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 6726 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 6727 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [1,1,0,0,0,0|2,0,0]=4 6728 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [1,1,0,0,0,0|2,0,0]=4 6729 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [1,1,0,0,0,0|2,0,0]=4 6730 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [1,1,0,0,0,0|2,0,0]=4 6731 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [1,1,0,0,0,0|2,0,0]=4 6732 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [1,1,0,0,0,0|2,0,0]=4 6733 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [1,1,0,0,0,0|2,0,0]=4 6734 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [1,1,0,0,0,0|2,0,0]=4 6735 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [1,1,0,0,0,0|2,0,0]=4 6736 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [1,1,0,0,0,0|2,0,0]=4 6737 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [1,1,0,0,0,0|2,0,0]=4 6738 B11R1.1 CCCSc1cc[n+](cc1)[O-] 62a_100000210303_100000039755 [1,1,0,0,0,0|2,0,0]=4 6739 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [1,1,0,0,0,0|2,0,0]=4 6740 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [1,1,0,0,0,0|2,0,0]=4 6741 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|1,0,0]=3 6742 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|1,0,0]=3 6743 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|1,0,0]=3 6744 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|1,0,0]=3 6745 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|1,0,0]=3 6746 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|1,0,0]=3 6747 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|1,0,0]=3 6748 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|1,0,0]=3 6749 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|1,0,0]=3 6750 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|1,0,0]=3 6751 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|1,0,0]=3 6752 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|1,0,0]=3 6753 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [1,1,0,0,0,0|2,0,0]=4 6754 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [1,1,0,0,0,0|2,0,0]=4 6755 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [1,1,0,0,0,0|2,0,0]=4 6756 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [1,1,0,0,0,0|2,0,0]=4 6757 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [1,1,0,0,0,0|2,0,0]=4 6758 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [1,1,0,0,0,0|2,0,0]=4 6759 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [1,1,0,0,0,0|2,0,0]=4 6760 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [1,1,0,0,0,0|2,0,0]=4 6761 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [1,1,0,0,0,0|2,0,0]=4 6762 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [1,1,0,0,0,0|2,0,0]=4 6763 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [1,1,0,0,0,0|2,0,0]=4 6764 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 6765 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [1,1,0,0,0,0|2,0,0]=4 6766 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [1,1,0,0,0,0|2,0,0]=4 6767 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [1,1,0,0,0,0|2,0,0]=4 6768 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [1,1,0,0,0,0|2,0,0]=4 6769 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [1,1,0,0,0,0|2,0,0]=4 6770 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [1,1,0,0,0,0|2,0,0]=4 6771 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [1,1,0,0,0,0|2,0,0]=4 6772 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [1,1,0,0,0,0|2,0,0]=4 6773 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [1,1,0,0,0,0|2,0,0]=4 6774 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [1,1,0,0,0,0|2,0,0]=4 6775 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|1,0,0]=3 6776 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|1,0,0]=3 6777 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|1,0,0]=3 6778 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|1,0,0]=3 6779 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|1,0,0]=3 6780 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|1,0,0]=3 6781 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|1,0,0]=3 6782 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|1,0,0]=3 6783 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|1,0,0]=3 6784 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|1,0,0]=3 6785 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|1,0,0]=3 6786 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|1,0,0]=3 6787 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|1,0,0]=3 6788 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|1,0,0]=3 6789 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|1,0,0]=3 6790 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|1,0,0]=3 6791 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|1,0,0]=3 6792 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|1,0,0]=3 6793 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|1,0,0]=3 6794 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|1,0,0]=3 6795 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|1,0,0]=3 6796 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|1,0,0]=3 6797 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|1,0,0]=3 6798 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|1,0,0]=3 6799 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|1,0,0]=3 6800 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,0]=3 6801 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [1,1,0,0,0,0|2,0,0]=4 6802 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [1,1,0,0,0,0|2,0,0]=4 6803 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [1,1,0,0,0,0|2,0,0]=4 6804 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [1,1,0,0,0,0|2,0,0]=4 6805 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [1,1,0,0,0,0|2,0,0]=4 6806 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [1,1,0,0,0,0|2,0,0]=4 6807 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [1,1,0,0,0,0|2,0,0]=4 6808 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [1,1,0,0,0,0|2,0,0]=4 6809 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [1,1,0,0,0,0|2,0,0]=4 6810 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [1,1,0,0,0,0|2,0,0]=4 6811 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [1,1,0,0,0,0|2,0,0]=4 6812 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [1,1,0,0,0,0|2,0,0]=4 6813 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [1,1,0,0,0,0|2,0,0]=4 6814 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [1,1,0,0,0,0|2,0,0]=4 6815 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [1,1,0,0,0,0|2,0,0]=4 6816 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [1,1,0,0,0,0|2,0,0]=4 6817 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [1,1,0,0,0,0|2,0,0]=4 6818 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [1,1,0,0,0,0|2,0,0]=4 6819 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [1,1,0,0,0,0|2,0,0]=4 6820 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [1,1,0,0,0,0|2,0,0]=4 6821 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [1,1,0,0,0,0|2,0,0]=4 6822 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [1,1,0,0,0,0|2,0,0]=4 6823 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [1,1,0,0,0,0|2,0,0]=4 6824 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [1,1,0,0,0,0|2,0,0]=4 6825 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [1,1,0,0,0,0|2,0,0]=4 6826 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [1,1,0,0,0,0|2,0,0]=4 6827 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [1,1,0,0,0,0|2,0,0]=4 6828 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [1,1,0,0,0,0|2,0,0]=4 6829 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [1,1,0,0,0,0|2,0,0]=4 6830 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [1,1,0,0,0,0|2,0,0]=4 6831 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [1,1,0,0,0,0|2,0,0]=4 6832 B11R1.1 CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210202 [1,1,0,0,0,0|2,0,0]=4 6833 B11R1.1 CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210202 [1,1,0,0,0,0|2,0,0]=4 6834 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [1,1,0,0,0,0|2,0,0]=4 6835 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|1,0,0]=3 6836 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|1,0,0]=3 6837 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|1,0,0]=3 6838 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|1,0,0]=3 6839 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|1,0,0]=3 6840 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|1,0,0]=3 6841 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|1,0,0]=3 6842 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|1,0,0]=3 6843 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|1,0,0]=3 6844 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|1,0,0]=3 6845 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|1,0,0]=3 6846 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|1,0,0]=3 6847 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|1,0,0]=3 6848 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|1,0,0]=3 6849 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|1,0,0]=3 6850 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|1,0,0]=3 6851 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [1,1,0,0,0,0|2,0,0]=4 6852 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [1,1,0,0,0,0|2,0,0]=4 6853 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [1,1,0,0,0,0|2,0,0]=4 6854 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [1,1,0,0,0,0|2,0,0]=4 6855 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [1,1,0,0,0,0|2,0,0]=4 6856 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [1,1,0,0,0,0|2,0,0]=4 6857 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [1,1,0,0,0,0|2,0,0]=4 6858 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [1,1,0,0,0,0|2,0,0]=4 6859 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [1,1,0,0,0,0|2,0,0]=4 6860 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [1,1,0,0,0,0|2,0,0]=4 6861 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [1,1,0,0,0,0|2,0,0]=4 6862 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [1,1,0,0,0,0|2,0,0]=4 6863 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [1,1,0,0,0,0|2,0,0]=4 6864 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [1,1,0,0,0,0|2,0,0]=4 6865 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [1,1,0,0,0,0|2,0,0]=4 6866 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [1,1,0,0,0,0|2,0,0]=4 6867 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [1,1,0,0,0,0|2,0,0]=4 6868 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [1,1,0,0,0,0|2,0,0]=4 6869 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [1,1,0,0,0,0|2,0,0]=4 6870 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [1,1,0,0,0,0|2,0,0]=4 6871 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [1,1,0,0,0,0|2,0,0]=4 6872 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|1,0,0]=3 6873 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|1,0,0]=3 6874 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|1,0,0]=3 6875 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|1,0,0]=3 6876 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|1,0,0]=3 6877 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|1,0,0]=3 6878 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|1,0,0]=3 6879 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|1,0,0]=3 6880 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|1,0,0]=3 6881 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|1,0,0]=3 6882 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [1,1,0,0,0,0|2,0,0]=4 6883 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [1,1,0,0,0,0|2,0,0]=4 6884 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [1,1,0,0,0,0|2,0,0]=4 6885 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [1,1,0,0,0,0|2,0,0]=4 6886 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [1,1,0,0,0,0|2,0,0]=4 6887 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [1,1,0,0,0,0|2,0,0]=4 6888 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [1,1,0,0,0,0|2,0,0]=4 6889 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [1,1,0,0,0,0|2,0,0]=4 6890 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [1,1,0,0,0,0|2,0,0]=4 6891 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [1,1,0,0,0,0|2,0,0]=4 6892 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [1,1,0,0,0,0|2,0,0]=4 6893 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [1,1,0,0,0,0|2,0,0]=4 6894 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [1,1,0,0,0,0|2,0,0]=4 6895 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [1,1,0,0,0,0|2,0,0]=4 6896 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [1,1,0,0,0,0|2,0,0]=4 6897 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [1,1,0,0,0,0|2,0,0]=4 6898 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|1,0,0]=3 6899 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|1,0,0]=3 6900 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|1,0,0]=3 6901 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|1,0,0]=3 6902 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|1,0,0]=3 6903 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|1,0,0]=3 6904 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|1,0,0]=3 6905 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|1,0,0]=3 6906 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|1,0,0]=3 6907 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|1,0,0]=3 6908 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|1,0,0]=3 6909 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|1,0,0]=3 6910 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|1,0,0]=3 6911 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|1,0,0]=3 6912 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|1,0,0]=3 6913 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|1,0,0]=3 6914 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|1,0,0]=3 6915 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|1,0,0]=3 6916 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|1,0,0]=3 6917 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|1,0,0]=3 6918 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|1,0,0]=3 6919 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|1,0,0]=3 6920 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,0]=3 6921 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|1,0,0]=3 6922 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 6923 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|1,0,0]=3 6924 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 6925 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 6926 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|1,0,0]=3 6927 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 6928 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 6929 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|1,0,0]=3 6930 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 6931 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 6932 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|1,0,0]=3 6933 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 6934 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 6935 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 6936 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 6937 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|1,0,0]=3 6938 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 6939 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,1,0,0,0,0|2,0,0]=4 6940 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 6941 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 6942 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,1,0,0,0,0|2,0,0]=4 6943 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,1,0,0,0,0|2,0,0]=4 6944 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|2,0,0]=4 6945 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,1,0,0,0,0|2,0,0]=4 6946 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,1,0,0,0,0|2,0,0]=4 6947 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|2,0,0]=4 6948 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|2,0,0]=4 6949 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,1,0,0,0,0|2,0,0]=4 6950 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,1,0,0,0,0|2,0,0]=4 6951 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,1,0,0,0,0|2,0,0]=4 6952 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,1,0,0,0,0|2,0,0]=4 6953 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,1,0,0,0,0|2,0,0]=4 6954 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,1,0,0,0,0|2,0,0]=4 6955 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|2,0,0]=4 6956 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|1,0,0]=3 6957 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|1,0,0]=3 6958 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|1,0,0]=3 6959 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|1,0,0]=3 6960 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|1,0,0]=3 6961 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|1,0,0]=3 6962 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|1,0,0]=3 6963 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|1,0,0]=3 6964 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|1,0,0]=3 6965 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|1,0,0]=3 6966 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 6967 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 6968 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|2,0,0]=4 6969 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 6970 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 6971 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [1,1,0,0,0,0|2,0,0]=4 6972 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 6973 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 6974 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,1,0,0,0,0|2,0,0]=4 6975 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|2,0,0]=4 6976 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,1,0,0,0,0|2,0,0]=4 6977 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,1,0,0,0,0|2,0,0]=4 6978 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,1,0,0,0,0|2,0,0]=4 6979 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 6980 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [1,1,0,0,0,0|2,0,0]=4 6981 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [1,1,0,0,0,0|2,0,0]=4 6982 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|2,0,0]=4 6983 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|2,0,0]=4 6984 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [1,1,0,0,0,0|2,0,0]=4 6985 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [1,1,0,0,0,0|2,0,0]=4 6986 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [1,1,0,0,0,0|2,0,0]=4 6987 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [1,1,0,0,0,0|2,0,0]=4 6988 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 6989 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [1,1,0,0,0,0|2,0,0]=4 6990 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|2,0,0]=4 6991 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|1,0,0]=3 6992 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|1,0,0]=3 6993 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 6994 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 6995 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|1,0,0]=3 6996 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|1,0,0]=3 6997 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [1,1,0,0,0,0|2,0,0]=4 6998 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|2,0,0]=4 6999 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|2,0,0]=4 7000 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [1,1,0,0,0,0|2,0,0]=4 7001 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [1,1,0,0,0,0|2,0,0]=4 7002 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [1,1,0,0,0,0|2,0,0]=4 7003 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|2,0,0]=4 7004 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|2,0,0]=4 7005 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|2,0,0]=4 7006 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|2,0,0]=4 7007 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|2,0,0]=4 7008 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [1,1,0,0,0,0|2,0,0]=4 7009 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [1,1,0,0,0,0|2,0,0]=4 7010 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|2,0,0]=4 7011 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|2,0,0]=4 7012 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,1,0,0,0,0|2,0,0]=4 7013 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 7014 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 7015 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 7016 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 7017 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [1,1,0,0,0,0|2,0,0]=4 7018 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 7019 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 7020 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 7021 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 7022 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 7023 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [1,1,0,0,0,0|2,0,0]=4 7024 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 7025 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 7026 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [1,1,0,0,0,0|2,0,0]=4 7027 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [1,1,0,0,0,0|2,0,0]=4 7028 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [1,1,0,0,0,0|2,0,0]=4 7029 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [1,1,0,0,0,0|2,0,0]=4 7030 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [1,1,0,0,0,0|2,0,0]=4 7031 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [1,1,0,0,0,0|2,0,0]=4 7032 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [1,1,0,0,0,0|2,0,0]=4 7033 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [1,1,0,0,0,0|2,0,0]=4 7034 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [1,1,0,0,0,0|2,0,0]=4 7035 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [1,1,0,0,0,0|2,0,0]=4 7036 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [1,1,0,0,0,0|2,0,0]=4 7037 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 7038 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 7039 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 7040 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 7041 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 7042 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 7043 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [1,1,0,0,0,0|2,0,0]=4 7044 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [1,1,0,0,0,0|2,0,0]=4 7045 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [1,1,0,0,0,0|2,0,0]=4 7046 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [1,1,0,0,0,0|2,0,0]=4 7047 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [1,1,0,0,0,0|2,0,0]=4 7048 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [1,1,0,0,0,0|2,0,0]=4 7049 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [1,1,0,0,0,0|2,0,0]=4 7050 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [1,1,0,0,0,0|2,0,0]=4 7051 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|0,0,2]=4 7052 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|0,0,0]=2 7053 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [1,1,0,0,0,0|2,0,0]=4 7054 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|1,0,0]=3 7055 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|1,0,0]=3 7056 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [1,1,0,0,0,0|2,0,0]=4 7057 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|2,0,0]=4 7058 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [1,1,0,0,0,0|2,0,0]=4 7059 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 7060 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [1,1,0,0,0,0|2,0,0]=4 7061 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [1,1,0,0,0,0|2,0,0]=4 7062 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [1,1,0,0,0,0|2,0,0]=4 7063 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|1,0,1]=4 7064 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|1,0,0]=3 7065 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [1,1,0,0,0,0|2,0,0]=4 7066 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [1,1,0,0,0,0|2,0,0]=4 7067 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [1,1,0,0,0,0|2,0,0]=4 7068 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [1,1,0,0,0,0|2,0,0]=4 7069 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [1,1,0,0,0,0|2,0,0]=4 7070 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [1,1,0,0,0,0|2,0,0]=4 7071 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|2,0,0]=4 7072 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [1,1,0,0,0,0|2,0,0]=4 7073 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [1,1,0,0,0,0|2,0,0]=4 7074 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [1,1,0,0,0,0|2,0,0]=4 7075 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [1,1,0,0,0,0|2,0,0]=4 7076 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [1,1,0,0,0,0|2,0,0]=4 7077 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [1,1,0,0,0,0|2,0,0]=4 7078 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [1,1,0,0,0,0|2,0,0]=4 7079 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|2,0,0]=4 7080 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [1,1,0,0,0,0|2,0,0]=4 7081 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [1,1,0,0,0,0|2,0,0]=4 7082 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [1,1,0,0,0,0|2,0,0]=4 7083 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [1,1,0,0,0,0|2,0,0]=4 7084 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [1,1,0,0,0,0|2,0,0]=4 7085 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [1,1,0,0,0,0|2,0,0]=4 7086 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|2,0,0]=4 7087 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|2,0,0]=4 7088 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|2,0,0]=4 7089 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|2,0,0]=4 7090 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|2,0,0]=4 7091 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|1,0,0]=3 7092 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|1,0,0]=3 7093 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|1,0,0]=3 7094 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|1,0,0]=3 7095 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|1,0,0]=3 7096 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|1,0,0]=3 7097 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,0]=3 7098 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 7099 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 7100 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 7101 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 7102 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 7103 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 7104 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 7105 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 7106 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 7107 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 7108 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 7109 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 7110 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|1,0,0]=3 7111 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|1,0,0]=3 7112 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|1,0,0]=3 7113 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|1,0,0]=3 7114 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|1,0,0]=3 7115 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|1,0,0]=3 7116 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|1,0,0]=3 7117 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|1,0,0]=3 7118 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 7119 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 7120 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 7121 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 7122 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|1,0,0]=3 7123 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|1,0,0]=3 7124 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,1,0,0,0,0|2,0,0]=4 7125 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,1,0,0,0,0|2,0,0]=4 7126 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|0,0,1]=3 7127 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|1,0,0]=3 7128 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|1,0,0]=3 7129 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|1,0,0]=3 7130 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|1,0,0]=3 7131 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|1,0,0]=3 7132 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|1,0,0]=3 7133 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|1,0,0]=3 7134 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|1,0,0]=3 7135 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|1,0,0]=3 7136 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 7137 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 7138 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 7139 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|1,0,0]=3 7140 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|1,0,0]=3 7141 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,1,0,0,0,0|2,0,0]=4 7142 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,1,0,0,0,0|2,0,0]=4 7143 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,1,0,0,0,0|2,0,0]=4 7144 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,1,0,0,0,0|2,0,0]=4 7145 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,1,0,0,0,0|2,0,0]=4 7146 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,1,0,0,0,0|2,0,0]=4 7147 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|1,0,0]=3 7148 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|1,0,0]=3 7149 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|1,0,0]=3 7150 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|1,0,0]=3 7151 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|1,0,0]=3 7152 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|1,0,0]=3 7153 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 7154 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 7155 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 7156 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 7157 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 7158 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 7159 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 7160 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 7161 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 7162 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|1,0,1]=4 7163 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 7164 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 7165 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|1,0,0]=3 7166 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 7167 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|1,0,0]=3 7168 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 7169 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|1,0,0]=3 7170 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|1,0,0]=3 7171 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|1,0,0]=3 7172 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|1,0,0]=3 7173 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,1,0,0,0,0|2,0,0]=4 7174 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,1,0,0,0,0|2,0,0]=4 7175 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|1,0,0]=3 7176 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|1,0,0]=3 7177 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|1,0,0]=3 7178 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 7179 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|1,0,0]=3 7180 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 7181 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|1,0,0]=3 7182 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 7183 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 7184 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 7185 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 7186 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|1,0,0]=3 7187 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|1,0,1]=4 7188 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|1,0,1]=4 7189 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|1,0,0]=3 7190 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|1,0,0]=3 7191 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|1,0,0]=3 7192 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|1,0,0]=3 7193 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 7194 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 7195 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 7196 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,1,0,0,0,0|2,0,0]=4 7197 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 7198 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|1,0,0]=3 7199 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 7200 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 7201 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|1,0,1]=4 7202 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|1,0,1]=4 7203 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 7204 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 7205 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 7206 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|1,0,0]=3 7207 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,1,0,0,0,0|2,0,0]=4 7208 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,1,0,0,0,0|2,0,0]=4 7209 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 7210 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 7211 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|1,0,1]=4 7212 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|1,0,1]=4 7213 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|1,0,0]=3 7214 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|1,0,0]=3 7215 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,1,0,0,0,0|2,0,0]=4 7216 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 7217 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|1,0,0]=3 7218 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,1,0,0,0,0|1,0,0]=3 7219 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [1,1,0,0,0,0|1,0,0]=3 7220 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,1,0,0,0,0|1,0,0]=3 7221 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|1,0,0]=3 7222 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [1,1,0,0,0,0|1,0,0]=3 7223 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|0,0,0]=2 7224 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|0,0,0]=2 7225 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|0,0,0]=2 7226 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|0,0,0]=2 7227 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|0,0,0]=2 7228 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|0,0,0]=2 7229 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|1,0,0]=3 7230 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|1,0,0]=3 7231 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|1,0,0]=3 7232 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|1,0,0]=3 7233 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|1,0,0]=3 7234 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [1,1,0,0,0,0|2,0,0]=4 7235 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [1,1,0,0,0,0|1,0,0]=3 7236 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|1,0,0]=3 7237 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [1,1,0,0,0,0|1,0,0]=3 7238 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [1,1,0,0,0,0|1,0,0]=3 7239 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [1,1,0,0,0,0|1,0,0]=3 7240 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|1,0,0]=3 7241 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [1,1,0,0,0,0|1,0,0]=3 7242 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|1,0,0]=3 7243 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [1,1,0,0,0,0|1,0,0]=3 7244 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [1,1,0,0,0,0|1,0,0]=3 7245 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [1,1,0,0,0,0|1,0,0]=3 7246 B11R1.17 CCCCc1cncnc1Br 271570a_100020621405_200012461658 [1,1,0,0,0,0|2,0,0]=4 7247 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [1,1,0,0,0,0|2,0,0]=4 7248 B11R1.17 CCCCc1cncnc1Cl 271570a_100020621405_100000758962 [1,1,0,0,0,0|2,0,0]=4 7249 B11R1.17 CCCCc1cncnc1N 271570a_100020621405_100011996079 [1,1,0,0,0,0|2,0,0]=4 7250 B11R1.17 CCCCc1cncnc1O 271570a_100020621405_100000751107 [1,1,0,0,0,0|2,0,0]=4 7251 B11R1.17 CCCCc1cnncc1N 271570a_100020621405_100009829405 [1,1,0,0,0,0|2,0,0]=4 7252 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [1,1,0,0,0,0|2,0,0]=4 7253 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|1,0,0]=3 7254 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|1,0,0]=3 7255 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|1,0,0]=3 7256 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|1,0,0]=3 7257 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|1,0,0]=3 7258 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|1,0,0]=3 7259 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [1,1,0,0,0,0|2,0,0]=4 7260 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [1,1,0,0,0,0|2,0,0]=4 7261 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [1,1,0,0,0,0|2,0,0]=4 7262 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [1,1,0,0,0,0|2,0,0]=4 7263 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [1,1,0,0,0,0|2,0,0]=4 7264 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [1,1,0,0,0,0|2,0,0]=4 7265 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [1,1,0,0,0,0|2,0,0]=4 7266 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [1,1,0,0,0,0|2,0,0]=4 7267 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|1,0,0]=3 7268 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|1,0,0]=3 7269 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|1,0,0]=3 7270 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|1,0,0]=3 7271 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|1,0,0]=3 7272 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 7273 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [1,1,0,0,0,0|2,0,0]=4 7274 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|1,0,0]=3 7275 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|1,0,0]=3 7276 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 7277 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 7278 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|1,0,0]=3 7279 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|1,0,0]=3 7280 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|1,0,0]=3 7281 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|1,0,0]=3 7282 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 7283 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 7284 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 7285 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 7286 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|1,0,0]=3 7287 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 7288 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 7289 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 7290 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 7291 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 7292 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 7293 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 7294 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 7295 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 7296 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 7297 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 7298 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 7299 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [1,1,0,0,0,0|2,0,0]=4 7300 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [1,1,0,0,0,0|2,0,0]=4 7301 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [1,1,0,0,0,0|2,0,0]=4 7302 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [1,1,0,0,0,0|2,0,0]=4 7303 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [1,1,0,0,0,0|2,0,0]=4 7304 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [1,1,0,0,0,0|2,0,0]=4 7305 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 7306 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 7307 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [1,1,0,0,0,0|2,0,0]=4 7308 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [1,1,0,0,0,0|2,0,0]=4 7309 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [1,1,0,0,0,0|2,0,0]=4 7310 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [1,1,0,0,0,0|2,0,0]=4 7311 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [1,1,0,0,0,0|2,0,0]=4 7312 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [1,1,0,0,0,0|2,0,0]=4 7313 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [1,1,0,0,0,0|2,0,0]=4 7314 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [1,1,0,0,0,0|2,0,0]=4 7315 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [1,1,0,0,0,0|2,0,0]=4 7316 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [1,1,0,0,0,0|2,0,0]=4 7317 B11R1.17 CCCSc1c[nH]ccc1=S 62a_100000210303_200012280681 [1,1,0,0,0,0|2,0,0]=4 7318 B11R1.17 CCCSc1c[nH]ccc1=S 62a_200012280681_100000210303 [1,1,0,0,0,0|2,0,0]=4 7319 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [1,1,0,0,0,0|2,0,0]=4 7320 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [1,1,0,0,0,0|2,0,0]=4 7321 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|1,0,0]=3 7322 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|1,0,0]=3 7323 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|1,0,0]=3 7324 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|1,0,0]=3 7325 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|1,0,0]=3 7326 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|1,0,0]=3 7327 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|1,0,0]=3 7328 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|1,0,0]=3 7329 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|1,0,0]=3 7330 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|1,0,0]=3 7331 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|1,0,0]=3 7332 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 7333 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [1,1,0,0,0,0|2,0,0]=4 7334 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [1,1,0,0,0,0|2,0,0]=4 7335 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [1,1,0,0,0,0|2,0,0]=4 7336 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [1,1,0,0,0,0|2,0,0]=4 7337 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [1,1,0,0,0,0|2,0,0]=4 7338 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [1,1,0,0,0,0|2,0,0]=4 7339 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [1,1,0,0,0,0|2,0,0]=4 7340 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [1,1,0,0,0,0|2,0,0]=4 7341 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [1,1,0,0,0,0|2,0,0]=4 7342 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [1,1,0,0,0,0|2,0,0]=4 7343 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [1,1,0,0,0,0|2,0,0]=4 7344 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [1,1,0,0,0,0|2,0,0]=4 7345 B11R1.17 CCCSc1ccncc1Br 62a_100000210303_100000726257 [1,1,0,0,0,0|2,0,0]=4 7346 B11R1.17 CCCSc1ccncc1Br 62a_100000726257_100000210303 [1,1,0,0,0,0|2,0,0]=4 7347 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [1,1,0,0,0,0|2,0,0]=4 7348 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [1,1,0,0,0,0|2,0,0]=4 7349 B11R1.17 CCCSc1ccncc1Cl 62a_100000210303_100000708259 [1,1,0,0,0,0|2,0,0]=4 7350 B11R1.17 CCCSc1ccncc1Cl 62a_100000708259_100000210303 [1,1,0,0,0,0|2,0,0]=4 7351 B11R1.17 CCCSc1ccncc1F 62a_100000047030_100000210303 [1,1,0,0,0,0|2,0,0]=4 7352 B11R1.17 CCCSc1ccncc1F 62a_100000210303_100000047030 [1,1,0,0,0,0|2,0,0]=4 7353 B11R1.17 CCCSc1ccncc1N 62a_100000210303_100000756074 [1,1,0,0,0,0|2,0,0]=4 7354 B11R1.17 CCCSc1ccncc1N 62a_100000756074_100000210303 [1,1,0,0,0,0|2,0,0]=4 7355 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [1,1,0,0,0,0|2,0,0]=4 7356 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [1,1,0,0,0,0|2,0,0]=4 7357 B11R1.17 CCCSc1cnccc1Br 62a_100000210303_100010138639 [1,1,0,0,0,0|2,0,0]=4 7358 B11R1.17 CCCSc1cnccc1Br 62a_100010138639_100000210303 [1,1,0,0,0,0|2,0,0]=4 7359 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [1,1,0,0,0,0|2,0,0]=4 7360 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [1,1,0,0,0,0|2,0,0]=4 7361 B11R1.17 CCCSc1cnccc1Cl 62a_100000210303_100009995489 [1,1,0,0,0,0|2,0,0]=4 7362 B11R1.17 CCCSc1cnccc1Cl 62a_100009995489_100000210303 [1,1,0,0,0,0|2,0,0]=4 7363 B11R1.17 CCCSc1cnccc1F 62a_100000210303_100009820683 [1,1,0,0,0,0|2,0,0]=4 7364 B11R1.17 CCCSc1cnccc1F 62a_100009820683_100000210303 [1,1,0,0,0,0|2,0,0]=4 7365 B11R1.17 CCCSc1cnccc1N 62a_100000047001_100000210303 [1,1,0,0,0,0|2,0,0]=4 7366 B11R1.17 CCCSc1cnccc1N 62a_100000210303_100000047001 [1,1,0,0,0,0|2,0,0]=4 7367 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [1,1,0,0,0,0|2,0,0]=4 7368 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [1,1,0,0,0,0|2,0,0]=4 7369 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [1,1,0,0,0,0|2,0,0]=4 7370 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [1,1,0,0,0,0|2,0,0]=4 7371 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [1,1,0,0,0,0|2,0,0]=4 7372 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [1,1,0,0,0,0|2,0,0]=4 7373 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [1,1,0,0,0,0|2,0,0]=4 7374 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [1,1,0,0,0,0|2,0,0]=4 7375 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [1,1,0,0,0,0|2,0,0]=4 7376 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [1,1,0,0,0,0|2,0,0]=4 7377 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 7378 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [1,1,0,0,0,0|2,0,0]=4 7379 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|1,0,0]=3 7380 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|1,0,0]=3 7381 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|1,0,0]=3 7382 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|1,0,0]=3 7383 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|1,0,0]=3 7384 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|1,0,0]=3 7385 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|1,0,0]=3 7386 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|1,0,0]=3 7387 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|1,0,0]=3 7388 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|1,0,0]=3 7389 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|1,0,0]=3 7390 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|1,0,0]=3 7391 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|1,0,0]=3 7392 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|1,0,0]=3 7393 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|1,0,0]=3 7394 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|1,0,0]=3 7395 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|1,0,0]=3 7396 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|1,0,0]=3 7397 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|1,0,0]=3 7398 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|1,0,0]=3 7399 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|1,0,0]=3 7400 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|1,0,0]=3 7401 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [1,1,0,0,0,0|2,0,0]=4 7402 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [1,1,0,0,0,0|2,0,0]=4 7403 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [1,1,0,0,0,0|2,0,0]=4 7404 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 7405 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [1,1,0,0,0,0|2,0,0]=4 7406 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 7407 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [1,1,0,0,0,0|2,0,0]=4 7408 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [1,1,0,0,0,0|2,0,0]=4 7409 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [1,1,0,0,0,0|2,0,0]=4 7410 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [1,1,0,0,0,0|2,0,0]=4 7411 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [1,1,0,0,0,0|2,0,0]=4 7412 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 7413 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 7414 B11R1.17 CCNCc1ccncc1Br 270004a_100015525214_100000755692 [1,1,0,0,0,0|2,0,0]=4 7415 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [1,1,0,0,0,0|2,0,0]=4 7416 B11R1.17 CCNCc1ccncc1Cl 207a_100015525214_100011934409 [1,1,0,0,0,0|2,0,0]=4 7417 B11R1.17 CCNCc1ccncc1Cl 2230a_100015525214_100000763264 [1,1,0,0,0,0|2,0,0]=4 7418 B11R1.17 CCNCc1ccncc1Cl 270004a_100015525214_100011934409 [1,1,0,0,0,0|2,0,0]=4 7419 B11R1.17 CCNCc1ccncc1F 34a_100011935246_100000210202 [1,1,0,0,0,0|2,0,0]=4 7420 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [1,1,0,0,0,0|2,0,0]=4 7421 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [1,1,0,0,0,0|2,0,0]=4 7422 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [1,1,0,0,0,0|2,0,0]=4 7423 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [1,1,0,0,0,0|2,0,0]=4 7424 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [1,1,0,0,0,0|2,0,0]=4 7425 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [1,1,0,0,0,0|2,0,0]=4 7426 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [1,1,0,0,0,0|2,0,0]=4 7427 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [1,1,0,0,0,0|2,0,0]=4 7428 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 7429 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [1,1,0,0,0,0|2,0,0]=4 7430 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 7431 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [1,1,0,0,0,0|2,0,0]=4 7432 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [1,1,0,0,0,0|2,0,0]=4 7433 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [1,1,0,0,0,0|2,0,0]=4 7434 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [1,1,0,0,0,0|2,0,0]=4 7435 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [1,1,0,0,0,0|2,0,0]=4 7436 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [1,1,0,0,0,0|2,0,0]=4 7437 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [1,1,0,0,0,0|2,0,0]=4 7438 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [1,1,0,0,0,0|2,0,0]=4 7439 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [1,1,0,0,0,0|2,0,0]=4 7440 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|1,0,0]=3 7441 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|1,0,0]=3 7442 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|1,0,0]=3 7443 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|1,0,0]=3 7444 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|1,0,0]=3 7445 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|1,0,0]=3 7446 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|1,0,0]=3 7447 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|1,0,0]=3 7448 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|1,0,0]=3 7449 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|1,0,0]=3 7450 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|1,0,0]=3 7451 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|1,0,0]=3 7452 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|1,0,0]=3 7453 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|1,0,0]=3 7454 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|1,0,0]=3 7455 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|1,0,0]=3 7456 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|1,0,0]=3 7457 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 7458 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [1,1,0,0,0,0|2,0,0]=4 7459 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 7460 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [1,1,0,0,0,0|2,0,0]=4 7461 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [1,1,0,0,0,0|2,0,0]=4 7462 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [1,1,0,0,0,0|2,0,0]=4 7463 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 7464 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [1,1,0,0,0,0|2,0,0]=4 7465 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 7466 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 7467 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [1,1,0,0,0,0|2,0,0]=4 7468 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 7469 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [1,1,0,0,0,0|2,0,0]=4 7470 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [1,1,0,0,0,0|2,0,0]=4 7471 B11R1.17 CCOCc1ccncc1F 34a_100012172863_100000210202 [1,1,0,0,0,0|2,0,0]=4 7472 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [1,1,0,0,0,0|2,0,0]=4 7473 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [1,1,0,0,0,0|2,0,0]=4 7474 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [1,1,0,0,0,0|2,0,0]=4 7475 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [1,1,0,0,0,0|2,0,0]=4 7476 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [1,1,0,0,0,0|2,0,0]=4 7477 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [1,1,0,0,0,0|2,0,0]=4 7478 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [1,1,0,0,0,0|2,0,0]=4 7479 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [1,1,0,0,0,0|2,0,0]=4 7480 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [1,1,0,0,0,0|2,0,0]=4 7481 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [1,1,0,0,0,0|2,0,0]=4 7482 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [1,1,0,0,0,0|2,0,0]=4 7483 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [1,1,0,0,0,0|2,0,0]=4 7484 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|1,0,0]=3 7485 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|1,0,0]=3 7486 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|1,0,0]=3 7487 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|1,0,0]=3 7488 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|1,0,0]=3 7489 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|1,0,0]=3 7490 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|1,0,0]=3 7491 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|1,0,0]=3 7492 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|1,0,0]=3 7493 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|1,0,0]=3 7494 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|1,0,0]=3 7495 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [1,1,0,0,0,0|2,0,0]=4 7496 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [1,1,0,0,0,0|2,0,0]=4 7497 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [1,1,0,0,0,0|2,0,0]=4 7498 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [1,1,0,0,0,0|2,0,0]=4 7499 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [1,1,0,0,0,0|2,0,0]=4 7500 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [1,1,0,0,0,0|2,0,0]=4 7501 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [1,1,0,0,0,0|2,0,0]=4 7502 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [1,1,0,0,0,0|2,0,0]=4 7503 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [1,1,0,0,0,0|2,0,0]=4 7504 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [1,1,0,0,0,0|2,0,0]=4 7505 B11R1.17 CCSCc1ccncc1Cl 62a_100000210202_100000763264 [1,1,0,0,0,0|2,0,0]=4 7506 B11R1.17 CCSCc1ccncc1Cl 62a_100000763264_100000210202 [1,1,0,0,0,0|2,0,0]=4 7507 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [1,1,0,0,0,0|2,0,0]=4 7508 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [1,1,0,0,0,0|2,0,0]=4 7509 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [1,1,0,0,0,0|2,0,0]=4 7510 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [1,1,0,0,0,0|2,0,0]=4 7511 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [1,1,0,0,0,0|2,0,0]=4 7512 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [1,1,0,0,0,0|2,0,0]=4 7513 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [1,1,0,0,0,0|2,0,0]=4 7514 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [1,1,0,0,0,0|2,0,0]=4 7515 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [1,1,0,0,0,0|2,0,0]=4 7516 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [1,1,0,0,0,0|2,0,0]=4 7517 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [1,1,0,0,0,0|2,0,0]=4 7518 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 7519 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|1,0,0]=3 7520 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|1,0,0]=3 7521 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|1,0,0]=3 7522 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|1,0,0]=3 7523 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|1,0,0]=3 7524 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|1,0,0]=3 7525 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|1,0,0]=3 7526 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|1,0,0]=3 7527 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|1,0,0]=3 7528 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|1,0,0]=3 7529 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|1,0,0]=3 7530 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|1,0,0]=3 7531 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|1,0,0]=3 7532 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|1,0,0]=3 7533 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|1,0,0]=3 7534 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|1,0,0]=3 7535 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|1,0,0]=3 7536 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|1,0,0]=3 7537 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|1,0,0]=3 7538 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|1,0,0]=3 7539 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|1,0,0]=3 7540 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|1,0,0]=3 7541 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|1,0,0]=3 7542 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|1,0,0]=3 7543 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [1,1,0,0,0,0|2,0,0]=4 7544 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 7545 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|1,0,0]=3 7546 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 7547 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 7548 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|1,0,0]=3 7549 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 7550 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 7551 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|1,0,0]=3 7552 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 7553 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 7554 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|1,0,0]=3 7555 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 7556 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 7557 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 7558 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|1,0,0]=3 7559 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|1,0,0]=3 7560 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 7561 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 7562 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 7563 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [1,1,0,0,0,0|2,0,0]=4 7564 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [1,1,0,0,0,0|2,0,0]=4 7565 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [1,1,0,0,0,0|2,0,0]=4 7566 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [1,1,0,0,0,0|2,0,0]=4 7567 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [1,1,0,0,0,0|2,0,0]=4 7568 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [1,1,0,0,0,0|2,0,0]=4 7569 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [1,1,0,0,0,0|2,0,0]=4 7570 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [1,1,0,0,0,0|2,0,0]=4 7571 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [1,1,0,0,0,0|2,0,0]=4 7572 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [1,1,0,0,0,0|2,0,0]=4 7573 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|2,0,0]=4 7574 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|2,0,0]=4 7575 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|1,0,0]=3 7576 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|1,0,0]=3 7577 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|1,0,0]=3 7578 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|1,0,0]=3 7579 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|1,0,0]=3 7580 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|1,0,0]=3 7581 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|1,0,0]=3 7582 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|1,0,0]=3 7583 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|1,0,0]=3 7584 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|1,0,0]=3 7585 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 7586 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [1,1,0,0,0,0|2,0,0]=4 7587 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [1,1,0,0,0,0|2,0,0]=4 7588 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [1,1,0,0,0,0|2,0,0]=4 7589 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [1,1,0,0,0,0|2,0,0]=4 7590 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 7591 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [1,1,0,0,0,0|2,0,0]=4 7592 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 7593 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [1,1,0,0,0,0|2,0,0]=4 7594 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [1,1,0,0,0,0|2,0,0]=4 7595 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 7596 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 7597 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [1,1,0,0,0,0|2,0,0]=4 7598 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [1,1,0,0,0,0|2,0,0]=4 7599 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [1,1,0,0,0,0|2,0,0]=4 7600 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [1,1,0,0,0,0|2,0,0]=4 7601 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [1,1,0,0,0,0|2,0,0]=4 7602 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [1,1,0,0,0,0|2,0,0]=4 7603 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [1,1,0,0,0,0|2,0,0]=4 7604 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [1,1,0,0,0,0|2,0,0]=4 7605 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 7606 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [1,1,0,0,0,0|2,0,0]=4 7607 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 7608 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [1,1,0,0,0,0|2,0,0]=4 7609 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|1,0,0]=3 7610 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|1,0,0]=3 7611 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 7612 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 7613 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|1,0,0]=3 7614 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|1,0,0]=3 7615 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [1,1,0,0,0,0|2,0,0]=4 7616 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [1,1,0,0,0,0|2,0,0]=4 7617 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [1,1,0,0,0,0|2,0,0]=4 7618 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [1,1,0,0,0,0|2,0,0]=4 7619 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [1,1,0,0,0,0|2,0,0]=4 7620 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [1,1,0,0,0,0|2,0,0]=4 7621 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|2,0,0]=4 7622 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 7623 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 7624 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|2,0,0]=4 7625 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|2,0,0]=4 7626 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [1,1,0,0,0,0|2,0,0]=4 7627 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [1,1,0,0,0,0|2,0,0]=4 7628 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,1,0,0,0,0|2,0,0]=4 7629 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,1,0,0,0,0|2,0,0]=4 7630 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 7631 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 7632 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 7633 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [1,1,0,0,0,0|2,0,0]=4 7634 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [1,1,0,0,0,0|2,0,0]=4 7635 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [1,1,0,0,0,0|2,0,0]=4 7636 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 7637 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 7638 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 7639 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 7640 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 7641 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 7642 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 7643 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 7644 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [1,1,0,0,0,0|2,0,0]=4 7645 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [1,1,0,0,0,0|2,0,0]=4 7646 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [1,1,0,0,0,0|2,0,0]=4 7647 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [1,1,0,0,0,0|2,0,0]=4 7648 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [1,1,0,0,0,0|2,0,0]=4 7649 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [1,1,0,0,0,0|2,0,0]=4 7650 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [1,1,0,0,0,0|2,0,0]=4 7651 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [1,1,0,0,0,0|2,0,0]=4 7652 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [1,1,0,0,0,0|2,0,0]=4 7653 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 7654 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 7655 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 7656 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 7657 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 7658 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 7659 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 7660 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 7661 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [1,1,0,0,0,0|2,0,0]=4 7662 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [1,1,0,0,0,0|2,0,0]=4 7663 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [1,1,0,0,0,0|2,0,0]=4 7664 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [1,1,0,0,0,0|2,0,0]=4 7665 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [1,1,0,0,0,0|2,0,0]=4 7666 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [1,1,0,0,0,0|2,0,0]=4 7667 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [1,1,0,0,0,0|2,0,0]=4 7668 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [1,1,0,0,0,0|2,0,0]=4 7669 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|1,0,0]=3 7670 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [1,1,0,0,0,0|2,0,0]=4 7671 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 7672 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 7673 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 7674 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 7675 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 7676 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [1,1,0,0,0,0|2,0,0]=4 7677 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [1,1,0,0,0,0|2,0,0]=4 7678 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [1,1,0,0,0,0|2,0,0]=4 7679 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|1,0,1]=4 7680 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|1,0,0]=3 7681 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|2,0,0]=4 7682 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|2,0,0]=4 7683 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|2,0,0]=4 7684 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|2,0,0]=4 7685 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 7686 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [1,1,0,0,0,0|2,0,0]=4 7687 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [1,1,0,0,0,0|2,0,0]=4 7688 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [1,1,0,0,0,0|2,0,0]=4 7689 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [1,1,0,0,0,0|2,0,0]=4 7690 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [1,1,0,0,0,0|2,0,0]=4 7691 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [1,1,0,0,0,0|2,0,0]=4 7692 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 7693 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 7694 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|2,0,0]=4 7695 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [1,1,0,0,0,0|2,0,0]=4 7696 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [1,1,0,0,0,0|2,0,0]=4 7697 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [1,1,0,0,0,0|2,0,0]=4 7698 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [1,1,0,0,0,0|2,0,0]=4 7699 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [1,1,0,0,0,0|2,0,0]=4 7700 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [1,1,0,0,0,0|2,0,0]=4 7701 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|2,0,0]=4 7702 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|2,0,0]=4 7703 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 7704 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [1,1,0,0,0,0|2,0,0]=4 7705 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 7706 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 7707 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [1,1,0,0,0,0|2,0,0]=4 7708 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|1,0,0]=3 7709 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|1,0,0]=3 7710 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|1,0,0]=3 7711 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|1,0,0]=3 7712 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|1,0,0]=3 7713 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|1,0,0]=3 7714 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|1,0,0]=3 7715 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [1,1,0,0,0,0|2,0,0]=4 7716 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 7717 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 7718 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 7719 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 7720 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 7721 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 7722 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 7723 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 7724 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|1,0,0]=3 7725 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|1,0,0]=3 7726 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|1,0,0]=3 7727 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|1,0,0]=3 7728 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|1,0,0]=3 7729 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|1,0,0]=3 7730 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|1,0,0]=3 7731 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|1,0,0]=3 7732 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|1,0,0]=3 7733 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [1,1,0,0,0,0|2,0,0]=4 7734 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|1,0,0]=3 7735 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|1,0,0]=3 7736 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|1,0,0]=3 7737 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|1,0,0]=3 7738 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|1,0,0]=3 7739 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [1,1,0,0,0,0|2,0,0]=4 7740 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [1,1,0,0,0,0|2,0,0]=4 7741 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [1,1,0,0,0,0|2,0,0]=4 7742 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [1,1,0,0,0,0|2,0,0]=4 7743 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [1,1,0,0,0,0|2,0,0]=4 7744 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [1,1,0,0,0,0|2,0,0]=4 7745 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|1,0,0]=3 7746 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [1,1,0,0,0,0|2,0,0]=4 7747 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|1,0,0]=3 7748 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|1,0,0]=3 7749 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|1,0,0]=3 7750 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|0,0,0]=2 7751 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|0,0,0]=2 7752 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|0,0,0]=2 7753 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|0,0,0]=2 7754 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|0,0,0]=2 7755 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|0,0,0]=2 7756 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|0,0,0]=2 7757 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|0,0,0]=2 7758 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|1,0,0]=3 7759 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|1,0,0]=3 7760 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|1,0,0]=3 7761 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|1,0,0]=3 7762 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|1,0,0]=3 7763 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|1,0,0]=3 7764 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|1,0,0]=3 7765 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|1,0,0]=3 7766 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|1,0,0]=3 7767 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [1,1,0,0,0,0|2,0,0]=4 7768 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [1,1,0,0,0,0|2,0,0]=4 7769 B11R1.24 CCCCc1cn[nH]c(=O)c1 271570a_100020621405_100010197405 [1,1,0,0,0,0|2,0,0]=4 7770 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|1,0,0]=3 7771 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|1,0,0]=3 7772 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|1,0,0]=3 7773 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|1,0,0]=3 7774 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|1,0,0]=3 7775 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|1,0,0]=3 7776 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [1,1,0,0,0,0|2,0,0]=4 7777 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [1,1,0,0,0,0|2,0,0]=4 7778 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [1,1,0,0,0,0|2,0,0]=4 7779 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [1,1,0,0,0,0|2,0,0]=4 7780 B11R1.24 CCCCc1cnnc(c1)N 271570a_100020621405_100000130277 [1,1,0,0,0,0|2,0,0]=4 7781 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [1,1,0,0,0,0|2,0,0]=4 7782 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [1,1,0,0,0,0|2,0,0]=4 7783 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [1,1,0,0,0,0|2,0,0]=4 7784 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|1,0,0]=3 7785 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|1,0,0]=3 7786 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|1,0,0]=3 7787 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|1,0,0]=3 7788 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|1,0,0]=3 7789 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|1,0,0]=3 7790 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|1,0,0]=3 7791 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [1,1,0,0,0,0|2,0,0]=4 7792 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [1,1,0,0,0,0|2,0,0]=4 7793 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [1,1,0,0,0,0|2,0,0]=4 7794 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [1,1,0,0,0,0|2,0,0]=4 7795 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [1,1,0,0,0,0|2,0,0]=4 7796 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|1,0,0]=3 7797 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|1,0,0]=3 7798 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|1,0,0]=3 7799 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|1,0,0]=3 7800 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|1,0,0]=3 7801 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|1,0,0]=3 7802 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|1,0,0]=3 7803 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|1,0,0]=3 7804 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|1,0,0]=3 7805 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|1,0,0]=3 7806 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|1,0,0]=3 7807 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|1,0,0]=3 7808 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [1,1,0,0,0,0|2,0,0]=4 7809 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [1,1,0,0,0,0|2,0,0]=4 7810 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [1,1,0,0,0,0|2,0,0]=4 7811 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [1,1,0,0,0,0|2,0,0]=4 7812 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [1,1,0,0,0,0|2,0,0]=4 7813 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [1,1,0,0,0,0|2,0,0]=4 7814 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 7815 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 7816 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [1,1,0,0,0,0|2,0,0]=4 7817 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [1,1,0,0,0,0|2,0,0]=4 7818 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [1,1,0,0,0,0|2,0,0]=4 7819 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [1,1,0,0,0,0|2,0,0]=4 7820 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [1,1,0,0,0,0|2,0,0]=4 7821 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [1,1,0,0,0,0|2,0,0]=4 7822 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [1,1,0,0,0,0|2,0,0]=4 7823 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [1,1,0,0,0,0|2,0,0]=4 7824 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [1,1,0,0,0,0|2,0,0]=4 7825 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [1,1,0,0,0,0|2,0,0]=4 7826 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [1,1,0,0,0,0|2,0,0]=4 7827 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [1,1,0,0,0,0|2,0,0]=4 7828 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [1,1,0,0,0,0|2,0,0]=4 7829 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [1,1,0,0,0,0|2,0,0]=4 7830 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [1,1,0,0,0,0|2,0,0]=4 7831 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [1,1,0,0,0,0|2,0,0]=4 7832 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [1,1,0,0,0,0|2,0,0]=4 7833 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100000210303_100009816521 [1,1,0,0,0,0|2,0,0]=4 7834 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210303 [1,1,0,0,0,0|2,0,0]=4 7835 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100000210303_100009996589 [1,1,0,0,0,0|2,0,0]=4 7836 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100009996589_100000210303 [1,1,0,0,0,0|2,0,0]=4 7837 B11R1.24 CCCSc1ccc[n+](c1)[O-] 62a_100000210303_100009815978 [1,1,0,0,0,0|2,0,0]=4 7838 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [1,1,0,0,0,0|2,0,0]=4 7839 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|1,0,0]=3 7840 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|1,0,0]=3 7841 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|1,0,0]=3 7842 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|1,0,0]=3 7843 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|1,0,0]=3 7844 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|1,0,0]=3 7845 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|1,0,0]=3 7846 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|1,0,0]=3 7847 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|1,0,0]=3 7848 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|1,0,0]=3 7849 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|1,0,0]=3 7850 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|1,0,0]=3 7851 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|1,0,0]=3 7852 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|1,0,0]=3 7853 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [1,1,0,0,0,0|2,0,0]=4 7854 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [1,1,0,0,0,0|2,0,0]=4 7855 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [1,1,0,0,0,0|2,0,0]=4 7856 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [1,1,0,0,0,0|2,0,0]=4 7857 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [1,1,0,0,0,0|2,0,0]=4 7858 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [1,1,0,0,0,0|2,0,0]=4 7859 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [1,1,0,0,0,0|2,0,0]=4 7860 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [1,1,0,0,0,0|2,0,0]=4 7861 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [1,1,0,0,0,0|2,0,0]=4 7862 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [1,1,0,0,0,0|2,0,0]=4 7863 B11R1.24 CCCSc1ccnc(c1)Br 62a_100000210303_100009814637 [1,1,0,0,0,0|2,0,0]=4 7864 B11R1.24 CCCSc1ccnc(c1)Br 62a_100009814637_100000210303 [1,1,0,0,0,0|2,0,0]=4 7865 B11R1.24 CCCSc1ccnc(c1)C 62a_100000210303_100000758586 [1,1,0,0,0,0|2,0,0]=4 7866 B11R1.24 CCCSc1ccnc(c1)C 62a_100000758586_100000210303 [1,1,0,0,0,0|2,0,0]=4 7867 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000035001_100000210303 [1,1,0,0,0,0|2,0,0]=4 7868 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000210303_100000035001 [1,1,0,0,0,0|2,0,0]=4 7869 B11R1.24 CCCSc1ccnc(c1)F 62a_100000210303_100009816116 [1,1,0,0,0,0|2,0,0]=4 7870 B11R1.24 CCCSc1ccnc(c1)F 62a_100009816116_100000210303 [1,1,0,0,0,0|2,0,0]=4 7871 B11R1.24 CCCSc1ccnc(c1)N 62a_100000049665_100000210303 [1,1,0,0,0,0|2,0,0]=4 7872 B11R1.24 CCCSc1ccnc(c1)N 62a_100000210303_100000049665 [1,1,0,0,0,0|2,0,0]=4 7873 B11R1.24 CCCSc1cncc(c1)Br 62a_100000210303_100000728054 [1,1,0,0,0,0|2,0,0]=4 7874 B11R1.24 CCCSc1cncc(c1)Br 62a_100000728054_100000210303 [1,1,0,0,0,0|2,0,0]=4 7875 B11R1.24 CCCSc1cncc(c1)C 62a_100000210303_100000760492 [1,1,0,0,0,0|2,0,0]=4 7876 B11R1.24 CCCSc1cncc(c1)C 62a_100000760492_100000210303 [1,1,0,0,0,0|2,0,0]=4 7877 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000049639_100000210303 [1,1,0,0,0,0|2,0,0]=4 7878 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000210303_100000049639 [1,1,0,0,0,0|2,0,0]=4 7879 B11R1.24 CCCSc1cncc(c1)F 62a_100000210303_100000744099 [1,1,0,0,0,0|2,0,0]=4 7880 B11R1.24 CCCSc1cncc(c1)F 62a_100000744099_100000210303 [1,1,0,0,0,0|2,0,0]=4 7881 B11R1.24 CCCSc1cncc(c1)N 62a_100000210303_100000687067 [1,1,0,0,0,0|2,0,0]=4 7882 B11R1.24 CCCSc1cncc(c1)N 62a_100000687067_100000210303 [1,1,0,0,0,0|2,0,0]=4 7883 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [1,1,0,0,0,0|2,0,0]=4 7884 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 7885 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [1,1,0,0,0,0|2,0,0]=4 7886 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [1,1,0,0,0,0|2,0,0]=4 7887 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [1,1,0,0,0,0|2,0,0]=4 7888 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [1,1,0,0,0,0|2,0,0]=4 7889 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [1,1,0,0,0,0|2,0,0]=4 7890 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [1,1,0,0,0,0|2,0,0]=4 7891 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [1,1,0,0,0,0|2,0,0]=4 7892 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [1,1,0,0,0,0|2,0,0]=4 7893 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [1,1,0,0,0,0|2,0,0]=4 7894 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|1,0,0]=3 7895 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|1,0,0]=3 7896 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|1,0,0]=3 7897 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|1,0,0]=3 7898 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|1,0,0]=3 7899 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|1,0,0]=3 7900 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|1,0,0]=3 7901 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|1,0,0]=3 7902 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|1,0,0]=3 7903 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|1,0,0]=3 7904 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|1,0,0]=3 7905 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|1,0,0]=3 7906 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|1,0,0]=3 7907 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|1,0,0]=3 7908 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|1,0,0]=3 7909 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|1,0,0]=3 7910 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|1,0,0]=3 7911 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|1,0,0]=3 7912 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|1,0,0]=3 7913 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|1,0,0]=3 7914 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|1,0,0]=3 7915 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|1,0,0]=3 7916 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|1,0,0]=3 7917 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|1,0,0]=3 7918 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|1,0,0]=3 7919 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|1,0,0]=3 7920 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|1,0,0]=3 7921 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|1,0,0]=3 7922 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|1,0,0]=3 7923 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|1,0,0]=3 7924 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|1,0,0]=3 7925 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [1,1,0,0,0,0|2,0,0]=4 7926 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [1,1,0,0,0,0|2,0,0]=4 7927 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [1,1,0,0,0,0|2,0,0]=4 7928 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [1,1,0,0,0,0|2,0,0]=4 7929 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [1,1,0,0,0,0|2,0,0]=4 7930 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [1,1,0,0,0,0|2,0,0]=4 7931 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [1,1,0,0,0,0|2,0,0]=4 7932 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [1,1,0,0,0,0|2,0,0]=4 7933 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [1,1,0,0,0,0|2,0,0]=4 7934 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [1,1,0,0,0,0|2,0,0]=4 7935 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [1,1,0,0,0,0|2,0,0]=4 7936 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [1,1,0,0,0,0|2,0,0]=4 7937 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [1,1,0,0,0,0|2,0,0]=4 7938 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [1,1,0,0,0,0|2,0,0]=4 7939 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100015525214_100010243470 [1,1,0,0,0,0|2,0,0]=4 7940 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100025757509_100000210202 [1,1,0,0,0,0|2,0,0]=4 7941 B11R1.24 CCNCc1ccnc(c1)Br 270004a_100015525214_100009814634 [1,1,0,0,0,0|2,0,0]=4 7942 B11R1.24 CCNCc1ccnc(c1)Br 34a_100025757509_100000210202 [1,1,0,0,0,0|2,0,0]=4 7943 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [1,1,0,0,0,0|2,0,0]=4 7944 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [1,1,0,0,0,0|2,0,0]=4 7945 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [1,1,0,0,0,0|2,0,0]=4 7946 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [1,1,0,0,0,0|2,0,0]=4 7947 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210202 [1,1,0,0,0,0|2,0,0]=4 7948 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015525214_100000764220 [1,1,0,0,0,0|2,0,0]=4 7949 B11R1.24 CCNCc1ccnc(c1)Cl 270004a_100015525214_100011290808 [1,1,0,0,0,0|2,0,0]=4 7950 B11R1.24 CCNCc1ccnc(c1)Cl 34a_100015205668_100000210202 [1,1,0,0,0,0|2,0,0]=4 7951 B11R1.24 CCNCc1ccnc(c1)F 2230a_100015188774_100000210202 [1,1,0,0,0,0|2,0,0]=4 7952 B11R1.24 CCNCc1ccnc(c1)F 270004a_100015525214_100000068331 [1,1,0,0,0,0|2,0,0]=4 7953 B11R1.24 CCNCc1ccnc(c1)F 34a_100015188774_100000210202 [1,1,0,0,0,0|2,0,0]=4 7954 B11R1.24 CCNCc1ccnc(c1)O 207a_100015525214_100000688113 [1,1,0,0,0,0|2,0,0]=4 7955 B11R1.24 CCNCc1cncc(c1)Br 207a_100015525214_100000687066 [1,1,0,0,0,0|2,0,0]=4 7956 B11R1.24 CCNCc1cncc(c1)Br 2230a_100015525214_100000738771 [1,1,0,0,0,0|2,0,0]=4 7957 B11R1.24 CCNCc1cncc(c1)Br 270004a_100015525214_100000687066 [1,1,0,0,0,0|2,0,0]=4 7958 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [1,1,0,0,0,0|2,0,0]=4 7959 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [1,1,0,0,0,0|2,0,0]=4 7960 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [1,1,0,0,0,0|2,0,0]=4 7961 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [1,1,0,0,0,0|2,0,0]=4 7962 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [1,1,0,0,0,0|2,0,0]=4 7963 B11R1.24 CCNCc1cncc(c1)Cl 207a_100015525214_100000088910 [1,1,0,0,0,0|2,0,0]=4 7964 B11R1.24 CCNCc1cncc(c1)Cl 2230a_100015525214_100016992070 [1,1,0,0,0,0|2,0,0]=4 7965 B11R1.24 CCNCc1cncc(c1)Cl 2230a_200020614424_100000210202 [1,1,0,0,0,0|2,0,0]=4 7966 B11R1.24 CCNCc1cncc(c1)Cl 270004a_100015525214_100000088910 [1,1,0,0,0,0|2,0,0]=4 7967 B11R1.24 CCNCc1cncc(c1)F 207a_100015525214_100011361476 [1,1,0,0,0,0|2,0,0]=4 7968 B11R1.24 CCNCc1cncc(c1)F 2230a_100011962886_100000210202 [1,1,0,0,0,0|2,0,0]=4 7969 B11R1.24 CCNCc1cncc(c1)F 2230a_100015525214_100000725299 [1,1,0,0,0,0|2,0,0]=4 7970 B11R1.24 CCNCc1cncc(c1)F 270004a_100015525214_100011361476 [1,1,0,0,0,0|2,0,0]=4 7971 B11R1.24 CCNCc1cncc(c1)F 34a_100011962886_100000210202 [1,1,0,0,0,0|2,0,0]=4 7972 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [1,1,0,0,0,0|2,0,0]=4 7973 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [1,1,0,0,0,0|2,0,0]=4 7974 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [1,1,0,0,0,0|2,0,0]=4 7975 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [1,1,0,0,0,0|2,0,0]=4 7976 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [1,1,0,0,0,0|2,0,0]=4 7977 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [1,1,0,0,0,0|2,0,0]=4 7978 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [1,1,0,0,0,0|2,0,0]=4 7979 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [1,1,0,0,0,0|2,0,0]=4 7980 B11R1.24 CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210202 [1,1,0,0,0,0|2,0,0]=4 7981 B11R1.24 CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210202 [1,1,0,0,0,0|2,0,0]=4 7982 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|1,0,0]=3 7983 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|1,0,0]=3 7984 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|1,0,0]=3 7985 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|1,0,0]=3 7986 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|1,0,0]=3 7987 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|1,0,0]=3 7988 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|1,0,0]=3 7989 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|1,0,0]=3 7990 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|1,0,0]=3 7991 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|1,0,0]=3 7992 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|1,0,0]=3 7993 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|1,0,0]=3 7994 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|1,0,0]=3 7995 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|1,0,0]=3 7996 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|1,0,0]=3 7997 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|1,0,0]=3 7998 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|1,0,0]=3 7999 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|1,0,0]=3 8000 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [1,1,0,0,0,0|2,0,0]=4 8001 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [1,1,0,0,0,0|2,0,0]=4 8002 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [1,1,0,0,0,0|2,0,0]=4 8003 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [1,1,0,0,0,0|2,0,0]=4 8004 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [1,1,0,0,0,0|2,0,0]=4 8005 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [1,1,0,0,0,0|2,0,0]=4 8006 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [1,1,0,0,0,0|2,0,0]=4 8007 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [1,1,0,0,0,0|2,0,0]=4 8008 B11R1.24 CCOCc1ccnc(c1)Br 34a_100009814636_100000210202 [1,1,0,0,0,0|2,0,0]=4 8009 B11R1.24 CCOCc1ccnc(c1)Br 34a_100121572206_100010243470 [1,1,0,0,0,0|2,0,0]=4 8010 B11R1.24 CCOCc1ccnc(c1)Br 7a_100009814636_100000210202 [1,1,0,0,0,0|2,0,0]=4 8011 B11R1.24 CCOCc1ccnc(c1)C 34a_100011998630_100000210202 [1,1,0,0,0,0|2,0,0]=4 8012 B11R1.24 CCOCc1ccnc(c1)C 34a_100121572206_200020672517 [1,1,0,0,0,0|2,0,0]=4 8013 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100000748751_100000210202 [1,1,0,0,0,0|2,0,0]=4 8014 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100121572206_100000764220 [1,1,0,0,0,0|2,0,0]=4 8015 B11R1.24 CCOCc1ccnc(c1)F 34a_100000082451_100000210202 [1,1,0,0,0,0|2,0,0]=4 8016 B11R1.24 CCOCc1cncc(c1)Br 34a_100011259137_100000210202 [1,1,0,0,0,0|2,0,0]=4 8017 B11R1.24 CCOCc1cncc(c1)Br 34a_100121572206_100000738771 [1,1,0,0,0,0|2,0,0]=4 8018 B11R1.24 CCOCc1cncc(c1)Br 7a_100011259137_100000210202 [1,1,0,0,0,0|2,0,0]=4 8019 B11R1.24 CCOCc1cncc(c1)C 34a_100011998709_100000210202 [1,1,0,0,0,0|2,0,0]=4 8020 B11R1.24 CCOCc1cncc(c1)C 34a_100121572206_100000716715 [1,1,0,0,0,0|2,0,0]=4 8021 B11R1.24 CCOCc1cncc(c1)C 7a_100011998709_100000210202 [1,1,0,0,0,0|2,0,0]=4 8022 B11R1.24 CCOCc1cncc(c1)Cl 34a_100000092867_100000210202 [1,1,0,0,0,0|2,0,0]=4 8023 B11R1.24 CCOCc1cncc(c1)Cl 34a_100121572206_100016992070 [1,1,0,0,0,0|2,0,0]=4 8024 B11R1.24 CCOCc1cncc(c1)Cl 7a_100000092867_100000210202 [1,1,0,0,0,0|2,0,0]=4 8025 B11R1.24 CCOCc1cncc(c1)F 34a_100011962875_100000210202 [1,1,0,0,0,0|2,0,0]=4 8026 B11R1.24 CCOCc1cncc(c1)F 34a_100121572206_100000725299 [1,1,0,0,0,0|2,0,0]=4 8027 B11R1.24 CCOCc1cncc(c1)F 7a_100011962875_100000210202 [1,1,0,0,0,0|2,0,0]=4 8028 B11R1.24 CCOCc1cncc(c1)N 34a_100000085308_100000210202 [1,1,0,0,0,0|2,0,0]=4 8029 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [1,1,0,0,0,0|2,0,0]=4 8030 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [1,1,0,0,0,0|2,0,0]=4 8031 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [1,1,0,0,0,0|2,0,0]=4 8032 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [1,1,0,0,0,0|2,0,0]=4 8033 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [1,1,0,0,0,0|2,0,0]=4 8034 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [1,1,0,0,0,0|2,0,0]=4 8035 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|1,0,0]=3 8036 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|1,0,0]=3 8037 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|1,0,0]=3 8038 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|1,0,0]=3 8039 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|1,0,0]=3 8040 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|1,0,0]=3 8041 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|1,0,0]=3 8042 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|1,0,0]=3 8043 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|1,0,0]=3 8044 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|1,0,0]=3 8045 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|1,0,0]=3 8046 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|1,0,0]=3 8047 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [1,1,0,0,0,0|2,0,0]=4 8048 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [1,1,0,0,0,0|2,0,0]=4 8049 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [1,1,0,0,0,0|2,0,0]=4 8050 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [1,1,0,0,0,0|2,0,0]=4 8051 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [1,1,0,0,0,0|2,0,0]=4 8052 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [1,1,0,0,0,0|2,0,0]=4 8053 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [1,1,0,0,0,0|2,0,0]=4 8054 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [1,1,0,0,0,0|2,0,0]=4 8055 B11R1.24 CCSCc1ccnc(c1)Br 62a_100000210202_100010243470 [1,1,0,0,0,0|2,0,0]=4 8056 B11R1.24 CCSCc1ccnc(c1)Br 62a_100010254460_100000210202 [1,1,0,0,0,0|2,0,0]=4 8057 B11R1.24 CCSCc1ccnc(c1)C 62a_100000210202_200020672517 [1,1,0,0,0,0|2,0,0]=4 8058 B11R1.24 CCSCc1ccnc(c1)C 62a_200020672517_100000210202 [1,1,0,0,0,0|2,0,0]=4 8059 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000210202_100000764220 [1,1,0,0,0,0|2,0,0]=4 8060 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000764220_100000210202 [1,1,0,0,0,0|2,0,0]=4 8061 B11R1.24 CCSCc1cncc(c1)Br 62a_100000210202_100000738771 [1,1,0,0,0,0|2,0,0]=4 8062 B11R1.24 CCSCc1cncc(c1)Br 62a_100000738771_100000210202 [1,1,0,0,0,0|2,0,0]=4 8063 B11R1.24 CCSCc1cncc(c1)C 62a_100000210202_100000716715 [1,1,0,0,0,0|2,0,0]=4 8064 B11R1.24 CCSCc1cncc(c1)C 62a_100000716715_100000210202 [1,1,0,0,0,0|2,0,0]=4 8065 B11R1.24 CCSCc1cncc(c1)Cl 62a_100000210202_100016992070 [1,1,0,0,0,0|2,0,0]=4 8066 B11R1.24 CCSCc1cncc(c1)Cl 62a_100016992070_100000210202 [1,1,0,0,0,0|2,0,0]=4 8067 B11R1.24 CCSCc1cncc(c1)F 62a_100000210202_100000725299 [1,1,0,0,0,0|2,0,0]=4 8068 B11R1.24 CCSCc1cncc(c1)F 62a_100000725299_100000210202 [1,1,0,0,0,0|2,0,0]=4 8069 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|1,0,0]=3 8070 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|1,0,0]=3 8071 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|1,0,0]=3 8072 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|1,0,0]=3 8073 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|1,0,0]=3 8074 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|1,0,0]=3 8075 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|1,0,0]=3 8076 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|1,0,0]=3 8077 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|1,0,0]=3 8078 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|1,0,0]=3 8079 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|1,0,0]=3 8080 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|1,0,0]=3 8081 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|1,0,0]=3 8082 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|1,0,0]=3 8083 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|1,0,0]=3 8084 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|1,0,0]=3 8085 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|1,0,0]=3 8086 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|1,0,0]=3 8087 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|1,0,0]=3 8088 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|1,0,0]=3 8089 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|1,0,0]=3 8090 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|1,0,0]=3 8091 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,1,0,0,0,0|2,0,0]=4 8092 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,1,0,0,0,0|2,0,0]=4 8093 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 8094 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|1,0,0]=3 8095 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 8096 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 8097 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|1,0,0]=3 8098 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 8099 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 8100 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|1,0,0]=3 8101 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 8102 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 8103 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|1,0,0]=3 8104 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 8105 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|1,0,0]=3 8106 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 8107 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 8108 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,1,0,0,0,0|2,0,0]=4 8109 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|2,0,0]=4 8110 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [1,1,0,0,0,0|2,0,0]=4 8111 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [1,1,0,0,0,0|2,0,0]=4 8112 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,1,0,0,0,0|2,0,0]=4 8113 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,1,0,0,0,0|2,0,0]=4 8114 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [1,1,0,0,0,0|2,0,0]=4 8115 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [1,1,0,0,0,0|2,0,0]=4 8116 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [1,1,0,0,0,0|2,0,0]=4 8117 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [1,1,0,0,0,0|2,0,0]=4 8118 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [1,1,0,0,0,0|2,0,0]=4 8119 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [1,1,0,0,0,0|2,0,0]=4 8120 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [1,1,0,0,0,0|2,0,0]=4 8121 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [1,1,0,0,0,0|2,0,0]=4 8122 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [1,1,0,0,0,0|2,0,0]=4 8123 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|1,0,0]=3 8124 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|1,0,0]=3 8125 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|1,0,0]=3 8126 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|1,0,0]=3 8127 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|1,0,0]=3 8128 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|1,0,0]=3 8129 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|1,0,0]=3 8130 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|1,0,0]=3 8131 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 8132 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 8133 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 8134 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [1,1,0,0,0,0|2,0,0]=4 8135 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [1,1,0,0,0,0|2,0,0]=4 8136 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [1,1,0,0,0,0|2,0,0]=4 8137 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 8138 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,1,0,0,0,0|2,0,0]=4 8139 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,1,0,0,0,0|2,0,0]=4 8140 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,1,0,0,0,0|2,0,0]=4 8141 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,1,0,0,0,0|2,0,0]=4 8142 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,1,0,0,0,0|2,0,0]=4 8143 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 8144 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [1,1,0,0,0,0|2,0,0]=4 8145 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [1,1,0,0,0,0|2,0,0]=4 8146 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [1,1,0,0,0,0|2,0,0]=4 8147 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [1,1,0,0,0,0|2,0,0]=4 8148 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [1,1,0,0,0,0|2,0,0]=4 8149 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [1,1,0,0,0,0|2,0,0]=4 8150 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [1,1,0,0,0,0|2,0,0]=4 8151 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [1,1,0,0,0,0|2,0,0]=4 8152 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 8153 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [1,1,0,0,0,0|2,0,0]=4 8154 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [1,1,0,0,0,0|2,0,0]=4 8155 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [1,1,0,0,0,0|2,0,0]=4 8156 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [1,1,0,0,0,0|2,0,0]=4 8157 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|1,0,0]=3 8158 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|1,0,0]=3 8159 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 8160 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 8161 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|1,0,0]=3 8162 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|1,0,0]=3 8163 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [1,1,0,0,0,0|2,0,0]=4 8164 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [1,1,0,0,0,0|2,0,0]=4 8165 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [1,1,0,0,0,0|2,0,0]=4 8166 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [1,1,0,0,0,0|2,0,0]=4 8167 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [1,1,0,0,0,0|2,0,0]=4 8168 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 8169 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 8170 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [1,1,0,0,0,0|2,0,0]=4 8171 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [1,1,0,0,0,0|2,0,0]=4 8172 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [1,1,0,0,0,0|2,0,0]=4 8173 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [1,1,0,0,0,0|2,0,0]=4 8174 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [1,1,0,0,0,0|2,0,0]=4 8175 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [1,1,0,0,0,0|2,0,0]=4 8176 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [1,1,0,0,0,0|2,0,0]=4 8177 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [1,1,0,0,0,0|2,0,0]=4 8178 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [1,1,0,0,0,0|2,0,0]=4 8179 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [1,1,0,0,0,0|2,0,0]=4 8180 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,1,0,0,0,0|2,0,0]=4 8181 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,1,0,0,0,0|2,0,0]=4 8182 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [1,1,0,0,0,0|2,0,0]=4 8183 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [1,1,0,0,0,0|2,0,0]=4 8184 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [1,1,0,0,0,0|2,0,0]=4 8185 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [1,1,0,0,0,0|2,0,0]=4 8186 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [1,1,0,0,0,0|2,0,0]=4 8187 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [1,1,0,0,0,0|2,0,0]=4 8188 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [1,1,0,0,0,0|2,0,0]=4 8189 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [1,1,0,0,0,0|2,0,0]=4 8190 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [1,1,0,0,0,0|2,0,0]=4 8191 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [1,1,0,0,0,0|2,0,0]=4 8192 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [1,1,0,0,0,0|2,0,0]=4 8193 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [1,1,0,0,0,0|2,0,0]=4 8194 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [1,1,0,0,0,0|2,0,0]=4 8195 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [1,1,0,0,0,0|2,0,0]=4 8196 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [1,1,0,0,0,0|2,0,0]=4 8197 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [1,1,0,0,0,0|2,0,0]=4 8198 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [1,1,0,0,0,0|2,0,0]=4 8199 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [1,1,0,0,0,0|2,0,0]=4 8200 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [1,1,0,0,0,0|2,0,0]=4 8201 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [1,1,0,0,0,0|2,0,0]=4 8202 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [1,1,0,0,0,0|2,0,0]=4 8203 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [1,1,0,0,0,0|2,0,0]=4 8204 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [1,1,0,0,0,0|2,0,0]=4 8205 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [1,1,0,0,0,0|2,0,0]=4 8206 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [1,1,0,0,0,0|2,0,0]=4 8207 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [1,1,0,0,0,0|2,0,0]=4 8208 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [1,1,0,0,0,0|2,0,0]=4 8209 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [1,1,0,0,0,0|2,0,0]=4 8210 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [1,1,0,0,0,0|2,0,0]=4 8211 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [1,1,0,0,0,0|2,0,0]=4 8212 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [1,1,0,0,0,0|2,0,0]=4 8213 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [1,1,0,0,0,0|2,0,0]=4 8214 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [1,1,0,0,0,0|2,0,0]=4 8215 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [1,1,0,0,0,0|2,0,0]=4 8216 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [1,1,0,0,0,0|2,0,0]=4 8217 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [1,1,0,0,0,0|2,0,0]=4 8218 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [1,1,0,0,0,0|2,0,0]=4 8219 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [1,1,0,0,0,0|2,0,0]=4 8220 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [1,1,0,0,0,0|2,0,0]=4 8221 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [1,1,0,0,0,0|2,0,0]=4 8222 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,1,0,0,0,0|0,0,2]=4 8223 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|0,0,0]=2 8224 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [1,1,0,0,0,0|1,0,0]=3 8225 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [1,1,0,0,0,0|2,0,0]=4 8226 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|2,0,0]=4 8227 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [1,1,0,0,0,0|2,0,0]=4 8228 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [1,1,0,0,0,0|2,0,0]=4 8229 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [1,1,0,0,0,0|2,0,0]=4 8230 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [1,1,0,0,0,0|2,0,0]=4 8231 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [1,1,0,0,0,0|2,0,0]=4 8232 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|1,0,0]=3 8233 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [1,1,0,0,0,0|2,0,0]=4 8234 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [1,1,0,0,0,0|2,0,0]=4 8235 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [1,1,0,0,0,0|2,0,0]=4 8236 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [1,1,0,0,0,0|2,0,0]=4 8237 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [1,1,0,0,0,0|2,0,0]=4 8238 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [1,1,0,0,0,0|2,0,0]=4 8239 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [1,1,0,0,0,0|2,0,0]=4 8240 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [1,1,0,0,0,0|2,0,0]=4 8241 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [1,1,0,0,0,0|2,0,0]=4 8242 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [1,1,0,0,0,0|2,0,0]=4 8243 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [1,1,0,0,0,0|2,0,0]=4 8244 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [1,1,0,0,0,0|2,0,0]=4 8245 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [1,1,0,0,0,0|2,0,0]=4 8246 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [1,1,0,0,0,0|2,0,0]=4 8247 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [1,1,0,0,0,0|2,0,0]=4 8248 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [1,1,0,0,0,0|2,0,0]=4 8249 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [1,1,0,0,0,0|2,0,0]=4 8250 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [1,1,0,0,0,0|2,0,0]=4 8251 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [1,1,0,0,0,0|2,0,0]=4 8252 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [1,1,0,0,0,0|2,0,0]=4 8253 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [1,1,0,0,0,0|2,0,0]=4 8254 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [1,1,0,0,0,0|2,0,0]=4 8255 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [1,1,0,0,0,0|2,0,0]=4 8256 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [1,1,0,0,0,0|2,0,0]=4 8257 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [1,1,0,0,0,0|2,0,0]=4 8258 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [1,1,0,0,0,0|2,0,0]=4 8259 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [1,1,0,0,0,0|2,0,0]=4 8260 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|2,0,0]=4 8261 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [1,1,0,0,0,0|2,0,0]=4 8262 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|1,0,0]=3 8263 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|1,0,0]=3 8264 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|1,0,0]=3 8265 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|1,0,0]=3 8266 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|1,0,0]=3 8267 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|1,0,0]=3 8268 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|1,0,0]=3 8269 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|1,0,0]=3 8270 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 8271 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 8272 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 8273 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 8274 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 8275 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 8276 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|1,0,0]=3 8277 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 8278 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 8279 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|1,0,0]=3 8280 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|1,0,0]=3 8281 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|1,0,0]=3 8282 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|1,0,0]=3 8283 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|1,0,0]=3 8284 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|1,0,0]=3 8285 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,1,0,0,0,0|2,0,0]=4 8286 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,1,0,0,0,0|2,0,0]=4 8287 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,1,0,0,0,0|2,0,0]=4 8288 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,1,0,0,0,0|2,0,0]=4 8289 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 8290 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 8291 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|1,0,0]=3 8292 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|1,0,0]=3 8293 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,1,0,0,0,0|2,0,0]=4 8294 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,1,0,0,0,0|2,0,0]=4 8295 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,1,0,0,0,0|1,0,1]=4 8296 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|0,0,1]=3 8297 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,1,0,0,0,0|1,0,1]=4 8298 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,1,0,0,0,0|1,0,1]=4 8299 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,1,0,0,0,0|1,0,1]=4 8300 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,1,0,0,0,0|1,0,1]=4 8301 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,1,0,0,0,0|1,0,1]=4 8302 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 8303 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 8304 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 8305 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 8306 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|1,0,0]=3 8307 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|1,0,0]=3 8308 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|1,0,0]=3 8309 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,1,0,0,0,0|2,0,0]=4 8310 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,1,0,0,0,0|2,0,0]=4 8311 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [1,1,0,0,0,0|2,0,0]=4 8312 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|1,0,0]=3 8313 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|1,0,0]=3 8314 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [1,1,0,0,0,0|2,0,0]=4 8315 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [1,1,0,0,0,0|2,0,0]=4 8316 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [1,1,0,0,0,0|2,0,0]=4 8317 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [1,1,0,0,0,0|2,0,0]=4 8318 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [1,1,0,0,0,0|2,0,0]=4 8319 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [1,1,0,0,0,0|2,0,0]=4 8320 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|1,0,0]=3 8321 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|1,0,0]=3 8322 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|1,0,0]=3 8323 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|1,0,0]=3 8324 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|1,0,0]=3 8325 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|1,0,0]=3 8326 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [1,1,0,0,0,0|2,0,0]=4 8327 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [1,1,0,0,0,0|2,0,0]=4 8328 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [1,1,0,0,0,0|2,0,0]=4 8329 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [1,1,0,0,0,0|2,0,0]=4 8330 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [1,1,0,0,0,0|2,0,0]=4 8331 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [1,1,0,0,0,0|2,0,0]=4 8332 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [1,1,0,0,0,0|2,0,0]=4 8333 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 8334 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [1,1,0,0,0,0|2,0,0]=4 8335 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [1,1,0,0,0,0|2,0,0]=4 8336 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 8337 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [1,1,0,0,0,0|2,0,0]=4 8338 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [1,1,0,0,0,0|2,0,0]=4 8339 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [1,1,0,0,0,0|2,0,0]=4 8340 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [1,1,0,0,0,0|2,0,0]=4 8341 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [1,1,0,0,0,0|2,0,0]=4 8342 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [1,1,0,0,0,0|2,0,0]=4 8343 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [1,1,0,0,0,0|2,0,0]=4 8344 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|1,0,0]=3 8345 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|1,0,0]=3 8346 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [1,1,0,0,0,0|2,0,0]=4 8347 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [1,1,0,0,0,0|2,0,0]=4 8348 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 8349 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 8350 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [1,1,0,0,0,0|2,0,0]=4 8351 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [1,1,0,0,0,0|2,0,0]=4 8352 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,1,0,0,0,0|2,0,0]=4 8353 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,1,0,0,0,0|2,0,0]=4 8354 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|1,0,0]=3 8355 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|1,0,0]=3 8356 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,1,0,0,0,0|2,0,0]=4 8357 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,1,0,0,0,0|2,0,0]=4 8358 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,1,0,0,0,0|2,0,0]=4 8359 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,1,0,0,0,0|2,0,0]=4 8360 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 8361 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|1,0,0]=3 8362 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 8363 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,1,0,0,0,0|2,0,0]=4 8364 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,1,0,0,0,0|2,0,0]=4 8365 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|1,0,0]=3 8366 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|1,0,0]=3 8367 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,1,0,0,0,0|2,0,0]=4 8368 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,1,0,0,0,0|2,0,0]=4 8369 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|1,0,1]=4 8370 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,1,0,0,0,0|1,0,1]=4 8371 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,1,0,0,0,0|1,0,1]=4 8372 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,1,0,0,0,0|1,0,1]=4 8373 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,1,0,0,0,0|1,0,1]=4 8374 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,1,0,0,0,0|1,0,1]=4 8375 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|0,0,1]=3 8376 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|0,0,1]=3 8377 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,1,0,0,0,0|1,0,1]=4 8378 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,1,0,0,0,0|1,0,1]=4 8379 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,1,0,0,0,0|1,0,1]=4 8380 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,1,0,0,0,0|1,0,1]=4 8381 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,1,0,0,0,0|1,0,1]=4 8382 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,1,0,0,0,0|1,0,1]=4 8383 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,1,0,0,0,0|1,0,1]=4 8384 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,1,0,0,0,0|1,0,1]=4 8385 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,1,0,0,0,0|1,0,1]=4 8386 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,1,0,0,0,0|1,0,1]=4 8387 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,1,0,0,0,0|1,0,1]=4 8388 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,1,0,0,0,0|1,0,1]=4 8389 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,1,0,0,0,0|0,0,2]=4 8390 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|1,0,0]=3 8391 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|1,0,0]=3 8392 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|1,0,0]=3 8393 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [1,1,0,0,0,0|2,0,0]=4 8394 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [1,1,0,0,0,0|2,0,0]=4 8395 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [1,1,0,0,0,0|2,0,0]=4 8396 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|1,0,0]=3 8397 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|1,0,0]=3 8398 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [1,1,0,0,0,0|2,0,0]=4 8399 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [1,1,0,0,0,0|2,0,0]=4 8400 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [1,1,0,0,0,0|2,0,0]=4 8401 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [1,1,0,0,0,0|2,0,0]=4 8402 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [1,1,0,0,0,0|2,0,0]=4 8403 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [1,1,0,0,0,0|2,0,0]=4 8404 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|1,0,0]=3 8405 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|1,0,0]=3 8406 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|1,0,0]=3 8407 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|1,0,0]=3 8408 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|1,0,0]=3 8409 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [1,1,0,0,0,0|2,0,0]=4 8410 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [1,1,0,0,0,0|2,0,0]=4 8411 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [1,1,0,0,0,0|2,0,0]=4 8412 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [1,1,0,0,0,0|2,0,0]=4 8413 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [1,1,0,0,0,0|2,0,0]=4 8414 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [1,1,0,0,0,0|2,0,0]=4 8415 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [1,1,0,0,0,0|2,0,0]=4 8416 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [1,1,0,0,0,0|2,0,0]=4 8417 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|1,0,0]=3 8418 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|1,0,0]=3 8419 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|1,0,0]=3 8420 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [1,1,0,0,0,0|2,0,0]=4 8421 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [1,1,0,0,0,0|2,0,0]=4 8422 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|1,0,0]=3 8423 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|1,0,0]=3 8424 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [1,1,0,0,0,0|2,0,0]=4 8425 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [1,1,0,0,0,0|2,0,0]=4 8426 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [1,1,0,0,0,0|2,0,0]=4 8427 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [1,1,0,0,0,0|2,0,0]=4 8428 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [1,1,0,0,0,0|2,0,0]=4 8429 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [1,1,0,0,0,0|2,0,0]=4 8430 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,1,0,0,0,0|0,0,2]=4 8431 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|1,0,0]=3 8432 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|1,0,0]=3 8433 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|1,0,0]=3 8434 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [1,1,0,0,0,0|2,0,0]=4 8435 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [1,1,0,0,0,0|2,0,0]=4 8436 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [1,1,0,0,0,0|2,0,0]=4 8437 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|1,0,0]=3 8438 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|1,0,0]=3 8439 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [1,1,0,0,0,0|2,0,0]=4 8440 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [1,1,0,0,0,0|2,0,0]=4 8441 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [1,1,0,0,0,0|2,0,0]=4 8442 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [1,1,0,0,0,0|2,0,0]=4 8443 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [1,1,0,0,0,0|2,0,0]=4 8444 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [1,1,0,0,0,0|2,0,0]=4 8445 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|1,0,0]=3 8446 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|1,0,0]=3 8447 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|1,0,0]=3 8448 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|1,0,0]=3 8449 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [1,1,0,0,0,0|2,0,0]=4 8450 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [1,1,0,0,0,0|2,0,0]=4 8451 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [1,1,0,0,0,0|2,0,0]=4 8452 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [1,1,0,0,0,0|2,0,0]=4 8453 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [1,1,0,0,0,0|2,0,0]=4 8454 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [1,1,0,0,0,0|2,0,0]=4 8455 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [1,1,0,0,0,0|2,0,0]=4 8456 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [1,1,0,0,0,0|2,0,0]=4 8457 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [1,1,0,0,0,0|2,0,0]=4 8458 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [1,1,0,0,0,0|2,0,0]=4 8459 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [1,1,0,0,0,0|2,0,0]=4 8460 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [1,1,0,0,0,0|2,0,0]=4 8461 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [1,1,0,0,0,0|2,0,0]=4 8462 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [1,1,0,0,0,0|2,0,0]=4 8463 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|1,0,0]=3 8464 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|1,0,0]=3 8465 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [1,1,0,0,0,0|2,0,0]=4 8466 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [1,1,0,0,0,0|2,0,0]=4 8467 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [1,1,0,0,0,0|2,0,0]=4 8468 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [1,1,0,0,0,0|2,0,0]=4 8469 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [1,1,0,0,0,0|2,0,0]=4 8470 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [1,1,0,0,0,0|2,0,0]=4 8471 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|1,0,0]=3 8472 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|1,0,0]=3 8473 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|1,0,0]=3 8474 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [1,1,0,0,0,0|2,0,0]=4 8475 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [1,1,0,0,0,0|2,0,0]=4 8476 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [1,1,0,0,0,0|2,0,0]=4 8477 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|1,0,0]=3 8478 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|1,0,0]=3 8479 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [1,1,0,0,0,0|2,0,0]=4 8480 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [1,1,0,0,0,0|2,0,0]=4 8481 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [1,1,0,0,0,0|2,0,0]=4 8482 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [1,1,0,0,0,0|2,0,0]=4 8483 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [1,1,0,0,0,0|2,0,0]=4 8484 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [1,1,0,0,0,0|2,0,0]=4 8485 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [1,1,0,0,0,0|2,0,0]=4 8486 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [1,1,0,0,0,0|2,0,0]=4 8487 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [1,1,0,0,0,0|2,0,0]=4 8488 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [1,1,0,0,0,0|2,0,0]=4 8489 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [1,1,0,0,0,0|2,0,0]=4 8490 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,1,0,0,0,0|1,0,1]=4 8491 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,1,0,0,0,0|1,0,1]=4 8492 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,1,0,0,0,0|1,0,1]=4 8493 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,1,0,0,0,0|1,0,1]=4 8494 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,1,0,0,0,0|1,0,1]=4 8495 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|0,0,1]=3 8496 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,1,0,0,0,0|1,0,1]=4 8497 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,1,0,0,0,0|1,0,1]=4 8498 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,1,0,0,0,0|1,0,1]=4 8499 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,1,0,0,0,0|1,0,1]=4 8500 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,1,0,0,0,0|1,0,1]=4 8501 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [0,1,0,0,1,0|2,0,0]=4 8502 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [0,1,0,0,1,0|2,0,0]=4 8503 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,1,0,0,1,0|2,0,0]=4 8504 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,1,0,0,1,0|2,0,0]=4 8505 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,1,0,0,1,0|2,0,0]=4 8506 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,1,0,0,1,0|2,0,0]=4 8507 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,1,0,0,1,0|2,0,0]=4 8508 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,1,0,0,1,0|2,0,0]=4 8509 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [0,1,0,0,1,0|2,0,0]=4 8510 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [0,1,0,0,1,0|2,0,0]=4 8511 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,1,0,0,1,0|2,0,0]=4 8512 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,1,0,0,1,0|2,0,0]=4 8513 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,1,0,0,1,0|2,0,0]=4 8514 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,1,0,0,1,0|2,0,0]=4 8515 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,1,0,0,1,0|2,0,0]=4 8516 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,1,0,0,1,0|2,0,0]=4 8517 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,1,0,0,1,0|2,0,0]=4 8518 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,1,0,0,1,0|2,0,0]=4 8519 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,1,0,0,1,0|2,0,0]=4 8520 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [0,1,0,0,1,0|2,0,0]=4 8521 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [0,1,0,0,1,0|2,0,0]=4 8522 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [0,1,0,0,1,0|2,0,0]=4 8523 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [0,1,0,0,1,0|2,0,0]=4 8524 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [0,1,0,0,1,0|2,0,0]=4 8525 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [0,1,0,0,1,0|2,0,0]=4 8526 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [0,1,0,0,1,0|2,0,0]=4 8527 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [0,1,0,0,1,0|2,0,0]=4 8528 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [0,1,0,0,1,0|2,0,0]=4 8529 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [0,1,0,0,1,0|2,0,0]=4 8530 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,1,0,0,1,0|2,0,0]=4 8531 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,1,0,0,1,0|2,0,0]=4 8532 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [0,1,0,0,1,0|2,0,0]=4 8533 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,1,0,0,1,0|2,0,0]=4 8534 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,1,0,0,1,0|2,0,0]=4 8535 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,1,0,0,1,0|2,0,0]=4 8536 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [0,1,0,0,1,0|2,0,0]=4 8537 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [0,1,0,0,1,0|2,0,0]=4 8538 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,1,0,0,1,0|2,0,0]=4 8539 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,1,0,0,1,0|2,0,0]=4 8540 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [0,1,0,0,1,0|2,0,0]=4 8541 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [0,1,0,0,1,0|2,0,0]=4 8542 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [0,1,0,0,1,0|2,0,0]=4 8543 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [0,1,0,0,1,0|2,0,0]=4 8544 B11R1.4 CCCNCCn1cccc1 34a_100011368172_100000210303 [0,1,0,0,1,0|2,0,0]=4 8545 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,1,0,0,1,0|2,0,0]=4 8546 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,1,0,0,1,0|2,0,0]=4 8547 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,1,0,0,1,0|2,0,0]=4 8548 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [0,1,0,0,1,0|2,0,0]=4 8549 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [0,1,0,0,1,0|2,0,0]=4 8550 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [0,1,0,0,1,0|2,0,0]=4 8551 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [0,1,0,0,1,0|2,0,0]=4 8552 B11R1.4 CCCSCCn1cccc1 62a_100000210303_200000035178 [0,1,0,0,1,0|2,0,0]=4 8553 B11R1.4 CCCSCCn1cccc1 62a_200009811947_100000210303 [0,1,0,0,1,0|2,0,0]=4 8554 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [0,1,0,0,1,0|2,0,0]=4 8555 B11R1.4 CCNCCCn1cccc1 2230a_100015525214_200009814367 [0,1,0,0,1,0|2,0,0]=4 8556 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [0,1,0,0,1,0|2,0,0]=4 8557 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [0,1,0,0,1,0|2,0,0]=4 8558 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [0,1,0,0,1,0|2,0,0]=4 8559 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [0,1,0,0,1,0|2,0,0]=4 8560 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [0,1,0,0,1,0|2,0,0]=4 8561 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [0,1,0,0,1,0|2,0,0]=4 8562 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [0,1,0,0,1,0|2,0,0]=4 8563 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [0,1,0,0,1,0|2,0,0]=4 8564 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [0,1,0,0,1,0|2,0,0]=4 8565 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [0,1,0,0,1,0|2,0,0]=4 8566 B11R1.4 CCSCCCn1cccc1 62a_100000210202_200009814367 [0,1,0,0,1,0|2,0,0]=4 8567 B11R1.4 CCSCCCn1cccc1 62a_200009814367_100000210202 [0,1,0,0,1,0|2,0,0]=4 8568 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [0,1,0,0,1,0|2,0,0]=4 8569 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [0,1,0,0,1,0|2,0,0]=4 8570 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [0,1,0,0,1,0|2,0,0]=4 8571 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [0,1,0,0,1,0|2,0,0]=4 8572 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [0,1,0,0,1,0|2,0,0]=4 8573 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,1,0,0,1,0|2,0,0]=4 8574 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,1,0,0,1,0|2,0,0]=4 8575 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [0,1,0,0,1,0|2,0,0]=4 8576 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [0,1,0,0,1,0|2,0,0]=4 8577 B11R1.4 FCCCCSc1ccoc1 62a_100000729493_100011215275 [0,1,0,0,1,0|2,0,0]=4 8578 B11R1.4 FCCCCSc1ccoc1 62a_100011215275_100000729493 [0,1,0,0,1,0|2,0,0]=4 8579 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [0,1,0,0,1,0|2,0,0]=4 8580 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [0,1,0,0,1,0|2,0,0]=4 8581 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [0,1,0,0,1,0|2,0,0]=4 8582 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [0,1,0,0,1,0|2,0,0]=4 8583 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [0,1,0,0,1,0|2,0,0]=4 8584 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [0,1,0,0,1,0|2,0,0]=4 8585 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [0,1,0,0,1,0|2,0,0]=4 8586 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [0,1,0,0,1,0|2,0,0]=4 8587 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [0,1,0,0,1,0|2,0,0]=4 8588 B11R1.4 FCCCNCc1ccoc1 207a_100015189416_100011215517 [0,1,0,0,1,0|2,0,0]=4 8589 B11R1.4 FCCCNCc1ccoc1 2230a_100015206860_100011934791 [0,1,0,0,1,0|2,0,0]=4 8590 B11R1.4 FCCCNCc1ccoc1 270004a_100015189416_100011215517 [0,1,0,0,1,0|2,0,0]=4 8591 B11R1.4 FCCCNCc1ccoc1 34a_100015206860_100011934791 [0,1,0,0,1,0|2,0,0]=4 8592 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [0,1,0,0,1,0|2,0,0]=4 8593 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [0,1,0,0,1,0|2,0,0]=4 8594 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [0,1,0,0,1,0|2,0,0]=4 8595 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [0,1,0,0,1,0|2,0,0]=4 8596 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [0,1,0,0,1,0|2,0,0]=4 8597 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [0,1,0,0,1,0|2,0,0]=4 8598 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [0,1,0,0,1,0|2,0,0]=4 8599 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [0,1,0,0,1,0|2,0,0]=4 8600 B11R1.4 FCCCOCc1ccoc1 34a_100011215357_100011934791 [0,1,0,0,1,0|2,0,0]=4 8601 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [0,1,0,0,1,0|2,0,0]=4 8602 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [0,1,0,0,1,0|2,0,0]=4 8603 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [0,1,0,0,1,0|2,0,0]=4 8604 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [0,1,0,0,1,0|2,0,0]=4 8605 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [0,1,0,0,1,0|2,0,0]=4 8606 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [0,1,0,0,1,0|2,0,0]=4 8607 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [0,1,0,0,1,0|2,0,0]=4 8608 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [0,1,0,0,1,0|2,0,0]=4 8609 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [0,1,0,0,1,0|2,0,0]=4 8610 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [0,1,0,0,1,0|2,0,0]=4 8611 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [0,1,0,0,1,0|2,0,0]=4 8612 B11R1.4 FCCNCCn1cccc1 34a_100011368172_100011217306 [0,1,0,0,1,0|2,0,0]=4 8613 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [0,1,0,0,1,0|2,0,0]=4 8614 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [0,1,0,0,1,0|2,0,0]=4 8615 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [0,1,0,0,1,0|2,0,0]=4 8616 B11R1.4 FCCOCCn1cccc1 34a_100000179382_100011217306 [0,1,0,0,1,0|2,0,0]=4 8617 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [0,1,0,0,1,0|2,0,0]=4 8618 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [0,1,0,0,1,0|2,0,0]=4 8619 B11R1.4 FCCSCCn1cccc1 62a_100011217306_200000035178 [0,1,0,0,1,0|2,0,0]=4 8620 B11R1.4 FCCSCCn1cccc1 62a_200009811947_100011217306 [0,1,0,0,1,0|2,0,0]=4 8621 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [0,1,0,0,1,0|2,0,0]=4 8622 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [0,1,0,0,1,0|2,0,0]=4 8623 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [0,1,0,0,1,0|2,0,0]=4 8624 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [0,1,0,0,1,0|2,0,0]=4 8625 B11R1.4 FCOCCCn1cccc1 34a_100000179399_100015361967 [0,1,0,0,1,0|2,0,0]=4 8626 B11R1.4 FCOCCCn1cccc1 7a_100000179399_100015361967 [0,1,0,0,1,0|2,0,0]=4 8627 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [0,1,0,0,1,0|2,0,0]=4 8628 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [0,1,0,0,1,0|2,0,0]=4 8629 B11R1.4 FCSCCCn1cccc1 62a_100015361967_200009814367 [0,1,0,0,1,0|2,0,0]=4 8630 B11R1.4 FCSCCCn1cccc1 62a_200009814367_100015361967 [0,1,0,0,1,0|2,0,0]=4 8631 B11R1.4 NCCCOCc1c[nH]cn1 34a_100000182051_100000707719 [0,1,0,0,1,0|2,0,0]=4 8632 B11R1.4 NCCCOCc1ccn[nH]1 34a_100000182051_100000728653 [0,1,0,0,1,0|2,0,0]=4 8633 B11R1.4 NCCCOCc1ccon1 34a_100000182051_100000234950 [0,1,0,0,1,0|2,0,0]=4 8634 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,1,0,0,1,0|1,0,0]=3 8635 B11R1.4 NCCCOCc1cncs1 34a_100000182051_100015185245 [0,1,0,0,1,0|2,0,0]=4 8636 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [0,1,0,0,1,0|2,0,0]=4 8637 B11R1.4 NCCCOCc1ncc[nH]1 34a_100000182051_100016991755 [0,1,0,0,1,0|2,0,0]=4 8638 B11R1.4 NCCCOCc1ncco1 34a_100000182051_103436540062 [0,1,0,0,1,0|2,0,0]=4 8639 B11R1.4 NCCCOCc1nccs1 34a_100000182051_100015184050 [0,1,0,0,1,0|2,0,0]=4 8640 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,1,0,0,1,0|1,0,0]=3 8641 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [0,1,0,0,1,0|2,0,0]=4 8642 B11R1.4 NOCCOCc1ccsc1 34a_100000700252_100011261437 [0,1,0,0,1,0|2,0,0]=4 8643 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [0,1,0,0,1,0|2,0,0]=4 8644 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [0,1,0,0,1,0|2,0,0]=4 8645 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,1,0,0,1,0|2,0,0]=4 8646 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,1,0,0,1,0|2,0,0]=4 8647 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [0,1,0,0,1,0|2,0,0]=4 8648 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [0,1,0,0,1,0|2,0,0]=4 8649 B11R1.4 OCCCCSc1ccoc1 62a_100000210776_100011215275 [0,1,0,0,1,0|2,0,0]=4 8650 B11R1.4 OCCCCSc1ccoc1 62a_100011215275_100000210776 [0,1,0,0,1,0|2,0,0]=4 8651 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [0,1,0,0,1,0|2,0,0]=4 8652 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [0,1,0,0,1,0|2,0,0]=4 8653 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [0,1,0,0,1,0|2,0,0]=4 8654 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [0,1,0,0,1,0|2,0,0]=4 8655 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [0,1,0,0,1,0|2,0,0]=4 8656 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [0,1,0,0,1,0|2,0,0]=4 8657 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [0,1,0,0,1,0|2,0,0]=4 8658 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [0,1,0,0,1,0|2,0,0]=4 8659 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [0,1,0,0,1,0|2,0,0]=4 8660 B11R1.4 OCCCNCc1ccoc1 207a_100000182051_100011215517 [0,1,0,0,1,0|2,0,0]=4 8661 B11R1.4 OCCCNCc1ccoc1 2230a_100015206860_100000230001 [0,1,0,0,1,0|2,0,0]=4 8662 B11R1.4 OCCCNCc1ccoc1 270004a_100000182051_100011215517 [0,1,0,0,1,0|2,0,0]=4 8663 B11R1.4 OCCCNCc1ccoc1 34a_100015206860_100000230001 [0,1,0,0,1,0|2,0,0]=4 8664 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [0,1,0,0,1,0|2,0,0]=4 8665 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [0,1,0,0,1,0|2,0,0]=4 8666 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [0,1,0,0,1,0|2,0,0]=4 8667 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [0,1,0,0,1,0|2,0,0]=4 8668 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [0,1,0,0,1,0|2,0,0]=4 8669 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [0,1,0,0,1,0|2,0,0]=4 8670 B11R1.4 OCCCOCc1ccoc1 34a_100011215357_100000230001 [0,1,0,0,1,0|2,0,0]=4 8671 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [0,1,0,0,1,0|2,0,0]=4 8672 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [0,1,0,0,1,0|2,0,0]=4 8673 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [0,1,0,0,1,0|2,0,0]=4 8674 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [0,1,0,0,1,0|2,0,0]=4 8675 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [0,1,0,0,1,0|2,0,0]=4 8676 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [0,1,0,0,1,0|2,0,0]=4 8677 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [0,1,0,0,1,0|2,0,0]=4 8678 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [0,1,0,0,1,0|2,0,0]=4 8679 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [0,1,0,0,1,0|2,0,0]=4 8680 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [0,1,0,0,1,0|2,0,0]=4 8681 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [0,1,0,0,1,0|2,0,0]=4 8682 B11R1.4 OCCNCCn1cccc1 2230a_100016997473_200009811947 [0,1,0,0,1,0|2,0,0]=4 8683 B11R1.4 OCCNCCn1cccc1 34a_100011368172_100000211926 [0,1,0,0,1,0|2,0,0]=4 8684 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [0,1,0,0,1,0|2,0,0]=4 8685 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [0,1,0,0,1,0|2,0,0]=4 8686 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [0,1,0,0,1,0|2,0,0]=4 8687 B11R1.4 OCCOCCn1cccc1 34a_100000179382_100000211926 [0,1,0,0,1,0|2,0,0]=4 8688 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [0,1,0,0,1,0|2,0,0]=4 8689 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [0,1,0,0,1,0|2,0,0]=4 8690 B11R1.4 OCCSCCn1cccc1 62a_100000211926_200000035178 [0,1,0,0,1,0|2,0,0]=4 8691 B11R1.4 OCCSCCn1cccc1 62a_200009811947_100000211926 [0,1,0,0,1,0|2,0,0]=4 8692 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [0,1,0,0,1,0|2,0,0]=4 8693 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [0,1,0,0,1,0|2,0,0]=4 8694 B11R1.25 CC(CN)OCc1ccsc1 34a_100000210904_100011261437 [0,1,0,0,1,0|2,0,0]=4 8695 B11R1.27 NCCOCc1cc(cs1)Br 34a_100000210304_100000746031 [0,1,0,0,1,0|2,0,0]=4 8696 B11R1.27 NCCOCc1ccc(s1)Br 34a_100000210304_100000708592 [0,1,0,0,1,0|2,0,0]=4 8697 B11R1.27 NCCOCc1ccc(s1)Cl 34a_100000210304_100000185097 [0,1,0,0,1,0|2,0,0]=4 8698 B11R1.27 NCCSCc1ccc(s1)O 271570a_203496583355_100000198568 [0,1,0,0,1,0|2,0,0]=4 8699 B11R1.172 C[C@@H](N)COCc1ccsc1 34a_100000737577_100011261437 [0,1,0,0,1,0|2,0,0]=4 8700 B11R1.180 NCCOCc1ccsc1Br 34a_100000210304_100009814289 [0,1,0,0,1,0|2,0,0]=4 8701 B11R1.180 NCCOCc1ccsc1Cl 34a_100000210304_100010167017 [0,1,0,0,1,0|2,0,0]=4 8702 B13R1.34 CCCCOc1cccccc1=O 34a_100000036025_100000210210 [0,1,0,0,0,1|2,0,0]=4 8703 B13R1.34 CCCCOc1cccccc1=O 7a_100000036025_100000210211 [0,1,0,0,0,1|2,0,0]=4 8704 B13R1.34 O=c1cccccc1OCCCF 34a_100000036025_100011934791 [0,1,0,0,0,1|2,0,0]=4 8705 B13R1.34 O=c1cccccc1OCCCF 7a_100000036025_100011934791 [0,1,0,0,0,1|2,0,0]=4 8706 B13R1.34 O=c1cccccc1OCCCO 34a_100000036025_100000230001 [0,1,0,0,0,1|2,0,0]=4 8707 B13R1.34 O=c1cccccc1OCCCO 7a_100000036025_100011215043 [0,1,0,0,0,1|2,0,0]=4 8708 B13R1.9 BrCCCOCc1ccc(cc1)Br 34a_100011217188_100000189115 [0,2,0,0,0,0|1,0,0]=3 8709 B13R1.9 BrCCCOCc1ccc(cc1)I 34a_100011217188_100000189116 [0,2,0,0,0,0|1,0,0]=3 8710 B13R1.9 BrCCCOCc1ccc(cn1)Br 34a_100011217188_100000702658 [0,2,0,0,0,0|2,0,0]=4 8711 B13R1.9 BrCCCOCc1ccc(nc1)Br 34a_100011217188_100009831999 [0,2,0,0,0,0|2,0,0]=4 8712 B13R1.9 BrCCOCCc1ccc(cc1)Br 34a_100000211926_100011740612 [0,2,0,0,0,0|1,0,0]=3 8713 B13R1.9 C#CCCCNc1ccc(cc1)Br 2230a_100000210018_100000731252 [0,2,0,0,0,0|1,0,1]=4 8714 B13R1.9 C#CCCCNc1ccc(cc1)Br 34a_100000210018_100000695029 [0,2,0,0,0,0|1,0,1]=4 8715 B13R1.9 C#CCCCNc1ccc(cc1)C 34a_100000124888_100000695029 [0,2,0,0,0,0|1,0,1]=4 8716 B13R1.9 C#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000731252 [0,2,0,0,0,0|1,0,1]=4 8717 B13R1.9 C#CCCCNc1ccc(cc1)Cl 34a_100000210052_100000695029 [0,2,0,0,0,0|1,0,1]=4 8718 B13R1.9 C#CCCCNc1ccc(cc1)F 34a_100000185862_100000695029 [0,2,0,0,0,0|1,0,1]=4 8719 B13R1.9 C#CCCCNc1ccc(cc1)I 34a_100000185761_100000695029 [0,2,0,0,0,0|1,0,1]=4 8720 B13R1.9 C#CCCCNc1ccc(cc1)O 34a_100000185829_100000695029 [0,2,0,0,0,0|1,0,1]=4 8721 B13R1.9 C#CCCCOc1ccc(cc1)Br 34a_100000185759_100000695029 [0,2,0,0,0,0|1,0,1]=4 8722 B13R1.9 C#CCCCOc1ccc(cc1)Br 7a_100000185759_100011215417 [0,2,0,0,0,0|1,0,1]=4 8723 B13R1.9 C#CCCCOc1ccc(cc1)C 34a_100000210336_100000695029 [0,2,0,0,0,0|1,0,1]=4 8724 B13R1.9 C#CCCCOc1ccc(cc1)C 7a_100000210336_100011215417 [0,2,0,0,0,0|1,0,1]=4 8725 B13R1.9 C#CCCCOc1ccc(cc1)Cl 34a_100000210216_100000695029 [0,2,0,0,0,0|1,0,1]=4 8726 B13R1.9 C#CCCCOc1ccc(cc1)Cl 7a_100000210216_100011215417 [0,2,0,0,0,0|1,0,1]=4 8727 B13R1.9 C#CCCCOc1ccc(cc1)F 34a_100000210339_100000695029 [0,2,0,0,0,0|1,0,1]=4 8728 B13R1.9 C#CCCCOc1ccc(cc1)I 34a_100000212066_100000695029 [0,2,0,0,0,0|1,0,1]=4 8729 B13R1.9 C#CCCCOc1ccc(cc1)I 7a_100000212066_100011215417 [0,2,0,0,0,0|1,0,1]=4 8730 B13R1.9 C#CCCCOc1ccc(cc1)N 34a_100000185829_100000695029 [0,2,0,0,0,0|1,0,1]=4 8731 B13R1.9 C#CCCCSc1ccc(cc1)Br 62a_100000752885_100011215417 [0,2,0,0,0,0|1,0,1]=4 8732 B13R1.9 C#CCCCSc1ccc(cc1)Br 62a_100011215417_100000752885 [0,2,0,0,0,0|1,0,1]=4 8733 B13R1.9 C#CCCCSc1ccc(cc1)C 62a_100000186775_100011215417 [0,2,0,0,0,0|1,0,1]=4 8734 B13R1.9 C#CCCCSc1ccc(cc1)C 62a_100011215417_100000186775 [0,2,0,0,0,0|1,0,1]=4 8735 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100000755918_100011215417 [0,2,0,0,0,0|1,0,1]=4 8736 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100011215417_100000755918 [0,2,0,0,0,0|1,0,1]=4 8737 B13R1.9 C#CCCCSc1ccc(cc1)F 62a_100000211213_100011215417 [0,2,0,0,0,0|1,0,1]=4 8738 B13R1.9 C#CCCCSc1ccc(cc1)F 62a_100011215417_100000211213 [0,2,0,0,0,0|1,0,1]=4 8739 B13R1.9 C#CCCCSc1ccc(cc1)N 62a_100000185761_100011215417 [0,2,0,0,0,0|1,0,1]=4 8740 B13R1.9 C#CCCCSc1ccc(cc1)N 62a_100011215417_100000185761 [0,2,0,0,0,0|1,0,1]=4 8741 B13R1.9 C#CCCCSc1ccc(cc1)O 62a_100011215417_100000185759 [0,2,0,0,0,0|1,0,1]=4 8742 B13R1.9 C#CCCNCc1ccc(cc1)Br 2230a_100000174875_100000688953 [0,2,0,0,0,0|1,0,1]=4 8743 B13R1.9 C#CCCNCc1ccc(cc1)Br 34a_100000174875_100000688953 [0,2,0,0,0,0|1,0,1]=4 8744 B13R1.9 C#CCCNCc1ccc(cc1)Br 34a_100000755551_100000189115 [0,2,0,0,0,0|1,0,1]=4 8745 B13R1.9 C#CCCNCc1ccc(cc1)C 2230a_100000174908_100000688953 [0,2,0,0,0,0|1,0,1]=4 8746 B13R1.9 C#CCCNCc1ccc(cc1)C 34a_100000174908_100000688953 [0,2,0,0,0,0|1,0,1]=4 8747 B13R1.9 C#CCCNCc1ccc(cc1)C 34a_100000755551_100000210814 [0,2,0,0,0,0|1,0,1]=4 8748 B13R1.9 C#CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000688953 [0,2,0,0,0,0|1,0,1]=4 8749 B13R1.9 C#CCCNCc1ccc(cc1)Cl 34a_100000174871_100000688953 [0,2,0,0,0,0|1,0,1]=4 8750 B13R1.9 C#CCCNCc1ccc(cc1)Cl 34a_100000755551_100000694040 [0,2,0,0,0,0|1,0,1]=4 8751 B13R1.9 C#CCCNCc1ccc(cc1)F 2230a_100000174882_100000688953 [0,2,0,0,0,0|1,0,1]=4 8752 B13R1.9 C#CCCNCc1ccc(cc1)F 34a_100000174882_100000688953 [0,2,0,0,0,0|1,0,1]=4 8753 B13R1.9 C#CCCNCc1ccc(cc1)F 34a_100000755551_100000198546 [0,2,0,0,0,0|1,0,1]=4 8754 B13R1.9 C#CCCNCc1ccc(cc1)I 2230a_100016989417_100000688953 [0,2,0,0,0,0|1,0,1]=4 8755 B13R1.9 C#CCCNCc1ccc(cc1)I 34a_100000755551_100000189116 [0,2,0,0,0,0|1,0,1]=4 8756 B13R1.9 C#CCCNCc1ccc(cc1)I 34a_100016989417_100000688953 [0,2,0,0,0,0|1,0,1]=4 8757 B13R1.9 C#CCCNCc1ccc(cc1)O 34a_100000185549_100000688953 [0,2,0,0,0,0|1,0,1]=4 8758 B13R1.9 C#CCCOCc1ccc(cc1)Br 34a_100000695286_100000688953 [0,2,0,0,0,0|1,0,1]=4 8759 B13R1.9 C#CCCOCc1ccc(cc1)Br 34a_100011215631_100000189115 [0,2,0,0,0,0|1,0,1]=4 8760 B13R1.9 C#CCCOCc1ccc(cc1)C 34a_100011215236_100000688953 [0,2,0,0,0,0|1,0,1]=4 8761 B13R1.9 C#CCCOCc1ccc(cc1)C 34a_100011215631_100000210814 [0,2,0,0,0,0|1,0,1]=4 8762 B13R1.9 C#CCCOCc1ccc(cc1)C 7a_100011215236_100000688953 [0,2,0,0,0,0|1,0,1]=4 8763 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100000211118_100000688953 [0,2,0,0,0,0|1,0,1]=4 8764 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100011215631_100000694040 [0,2,0,0,0,0|1,0,1]=4 8765 B13R1.9 C#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000688953 [0,2,0,0,0,0|1,0,1]=4 8766 B13R1.9 C#CCCOCc1ccc(cc1)F 34a_100000210977_100000688953 [0,2,0,0,0,0|1,0,1]=4 8767 B13R1.9 C#CCCOCc1ccc(cc1)F 34a_100011215631_100000198546 [0,2,0,0,0,0|1,0,1]=4 8768 B13R1.9 C#CCCOCc1ccc(cc1)F 7a_100000210977_100000688953 [0,2,0,0,0,0|1,0,1]=4 8769 B13R1.9 C#CCCOCc1ccc(cc1)I 34a_100000690907_100000688953 [0,2,0,0,0,0|1,0,1]=4 8770 B13R1.9 C#CCCOCc1ccc(cc1)I 34a_100011215631_100000189116 [0,2,0,0,0,0|1,0,1]=4 8771 B13R1.9 C#CCCOCc1ccc(cc1)I 7a_100000690907_100000688953 [0,2,0,0,0,0|1,0,1]=4 8772 B13R1.9 C#CCCOCc1ccc(cc1)N 34a_100011215238_100000688953 [0,2,0,0,0,0|1,0,1]=4 8773 B13R1.9 C#CCCSCc1ccc(cc1)Br 62a_100000189115_100000688953 [0,2,0,0,0,0|1,0,1]=4 8774 B13R1.9 C#CCCSCc1ccc(cc1)Br 62a_100000688953_100000189115 [0,2,0,0,0,0|1,0,1]=4 8775 B13R1.9 C#CCCSCc1ccc(cc1)C 62a_100000210814_100000688953 [0,2,0,0,0,0|1,0,1]=4 8776 B13R1.9 C#CCCSCc1ccc(cc1)C 62a_100000688953_100000210814 [0,2,0,0,0,0|1,0,1]=4 8777 B13R1.9 C#CCCSCc1ccc(cc1)Cl 62a_100000187161_100000688953 [0,2,0,0,0,0|1,0,1]=4 8778 B13R1.9 C#CCCSCc1ccc(cc1)Cl 62a_100000688953_100000187161 [0,2,0,0,0,0|1,0,1]=4 8779 B13R1.9 C#CCCSCc1ccc(cc1)F 62a_100000198546_100000688953 [0,2,0,0,0,0|1,0,1]=4 8780 B13R1.9 C#CCCSCc1ccc(cc1)F 62a_100000688953_100000187164 [0,2,0,0,0,0|1,0,1]=4 8781 B13R1.9 C#CCCSCc1ccc(cc1)I 62a_100000189116_100000688953 [0,2,0,0,0,0|1,0,1]=4 8782 B13R1.9 C#CCCSCc1ccc(cc1)I 62a_100000688953_100000189116 [0,2,0,0,0,0|1,0,1]=4 8783 B13R1.9 C#CCNCCc1ccc(cc1)Br 2230a_100000755846_100000038162 [0,2,0,0,0,0|1,0,1]=4 8784 B13R1.9 C#CCNCCc1ccc(cc1)Br 34a_100000212058_100011740612 [0,2,0,0,0,0|1,0,1]=4 8785 B13R1.9 C#CCNCCc1ccc(cc1)Br 34a_100000755846_100000184674 [0,2,0,0,0,0|1,0,1]=4 8786 B13R1.9 C#CCNCCc1ccc(cc1)C 2230a_100000705350_100000038162 [0,2,0,0,0,0|1,0,1]=4 8787 B13R1.9 C#CCNCCc1ccc(cc1)C 34a_100000212058_100011713686 [0,2,0,0,0,0|1,0,1]=4 8788 B13R1.9 C#CCNCCc1ccc(cc1)C 34a_100000705350_100000184674 [0,2,0,0,0,0|1,0,1]=4 8789 B13R1.9 C#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000038162 [0,2,0,0,0,0|1,0,1]=4 8790 B13R1.9 C#CCNCCc1ccc(cc1)Cl 34a_100000185265_100000184674 [0,2,0,0,0,0|1,0,1]=4 8791 B13R1.9 C#CCNCCc1ccc(cc1)Cl 34a_100000212058_100011713675 [0,2,0,0,0,0|1,0,1]=4 8792 B13R1.9 C#CCNCCc1ccc(cc1)F 2230a_100000199005_100000038162 [0,2,0,0,0,0|1,0,1]=4 8793 B13R1.9 C#CCNCCc1ccc(cc1)F 34a_100000199005_100000184674 [0,2,0,0,0,0|1,0,1]=4 8794 B13R1.9 C#CCNCCc1ccc(cc1)F 34a_100000212058_100011217392 [0,2,0,0,0,0|1,0,1]=4 8795 B13R1.9 C#CCNCCc1ccc(cc1)O 34a_100000743037_100000184674 [0,2,0,0,0,0|1,0,1]=4 8796 B13R1.9 C#CCOCCc1ccc(cc1)Br 34a_100000210247_100011740612 [0,2,0,0,0,0|1,0,1]=4 8797 B13R1.9 C#CCOCCc1ccc(cc1)Br 34a_100000766406_100000184674 [0,2,0,0,0,0|1,0,1]=4 8798 B13R1.9 C#CCOCCc1ccc(cc1)Br 7a_100000766406_100000038162 [0,2,0,0,0,0|1,0,1]=4 8799 B13R1.9 C#CCOCCc1ccc(cc1)C 34a_100000210247_100011713686 [0,2,0,0,0,0|1,0,1]=4 8800 B13R1.9 C#CCOCCc1ccc(cc1)C 34a_100000756670_100000184674 [0,2,0,0,0,0|1,0,1]=4 8801 B13R1.9 C#CCOCCc1ccc(cc1)C 7a_100000756670_100000038162 [0,2,0,0,0,0|1,0,1]=4 8802 B13R1.9 C#CCOCCc1ccc(cc1)Cl 34a_100000210247_100011713675 [0,2,0,0,0,0|1,0,1]=4 8803 B13R1.9 C#CCOCCc1ccc(cc1)Cl 34a_100011219627_100000184674 [0,2,0,0,0,0|1,0,1]=4 8804 B13R1.9 C#CCOCCc1ccc(cc1)Cl 7a_100011219627_100000038162 [0,2,0,0,0,0|1,0,1]=4 8805 B13R1.9 C#CCOCCc1ccc(cc1)F 34a_100000210247_100011217392 [0,2,0,0,0,0|1,0,1]=4 8806 B13R1.9 C#CCOCCc1ccc(cc1)F 34a_100000754732_100000184674 [0,2,0,0,0,0|1,0,1]=4 8807 B13R1.9 C#CCOCCc1ccc(cc1)F 7a_100000754732_100000038162 [0,2,0,0,0,0|1,0,1]=4 8808 B13R1.9 C#CCOCCc1ccc(cc1)I 34a_100012291149_100000184674 [0,2,0,0,0,0|1,0,1]=4 8809 B13R1.9 C#CCOCCc1ccc(cc1)I 7a_100012291149_100000038162 [0,2,0,0,0,0|1,0,1]=4 8810 B13R1.9 C#CCOCCc1ccc(cc1)N 34a_100011204434_100000184674 [0,2,0,0,0,0|1,0,1]=4 8811 B13R1.9 C#CCSCCc1ccc(cc1)Br 62a_100000038162_100011740612 [0,2,0,0,0,0|1,0,1]=4 8812 B13R1.9 C#CCSCCc1ccc(cc1)C 62a_100000038162_100011713686 [0,2,0,0,0,0|1,0,1]=4 8813 B13R1.9 C#CCSCCc1ccc(cc1)Cl 62a_100000038162_100011713675 [0,2,0,0,0,0|1,0,1]=4 8814 B13R1.9 C#CCSCCc1ccc(cc1)F 62a_100000038162_100011217392 [0,2,0,0,0,0|1,0,1]=4 8815 B13R1.9 C#CCSCCc1ccc(cc1)O 62a_100000038162_100009816426 [0,2,0,0,0,0|1,0,1]=4 8816 B13R1.9 C=CCCCNc1ccc(cc1)Br 2230a_100000210018_100011713584 [0,2,0,0,0,0|1,0,1]=4 8817 B13R1.9 C=CCCCNc1ccc(cc1)Br 34a_100000210018_100000757094 [0,2,0,0,0,0|1,0,1]=4 8818 B13R1.9 C=CCCCNc1ccc(cc1)C 34a_100000124888_100000757094 [0,2,0,0,0,0|1,0,1]=4 8819 B13R1.9 C=CCCCNc1ccc(cc1)Cl 2230a_100000210052_100011713584 [0,2,0,0,0,0|1,0,1]=4 8820 B13R1.9 C=CCCCNc1ccc(cc1)Cl 34a_100000210052_100000757094 [0,2,0,0,0,0|1,0,1]=4 8821 B13R1.9 C=CCCCNc1ccc(cc1)F 34a_100000185862_100000757094 [0,2,0,0,0,0|1,0,1]=4 8822 B13R1.9 C=CCCCNc1ccc(cc1)I 34a_100000185761_100000757094 [0,2,0,0,0,0|1,0,1]=4 8823 B13R1.9 C=CCCCNc1ccc(cc1)O 34a_100000185829_100000757094 [0,2,0,0,0,0|1,0,1]=4 8824 B13R1.9 C=CCCCOc1ccc(cc1)Br 34a_100000185759_100000757094 [0,2,0,0,0,0|1,0,1]=4 8825 B13R1.9 C=CCCCOc1ccc(cc1)Br 7a_100000185759_100000757094 [0,2,0,0,0,0|1,0,1]=4 8826 B13R1.9 C=CCCCOc1ccc(cc1)C 34a_100000210336_100000757094 [0,2,0,0,0,0|1,0,1]=4 8827 B13R1.9 C=CCCCOc1ccc(cc1)C 7a_100000210336_100000757094 [0,2,0,0,0,0|1,0,1]=4 8828 B13R1.9 C=CCCCOc1ccc(cc1)Cl 34a_100000210216_100000757094 [0,2,0,0,0,0|1,0,1]=4 8829 B13R1.9 C=CCCCOc1ccc(cc1)Cl 7a_100000210216_100000757094 [0,2,0,0,0,0|1,0,1]=4 8830 B13R1.9 C=CCCCOc1ccc(cc1)F 34a_100000210339_100000757094 [0,2,0,0,0,0|1,0,1]=4 8831 B13R1.9 C=CCCCOc1ccc(cc1)I 34a_100000212066_100000757094 [0,2,0,0,0,0|1,0,1]=4 8832 B13R1.9 C=CCCCOc1ccc(cc1)I 7a_100000212066_100000757094 [0,2,0,0,0,0|1,0,1]=4 8833 B13R1.9 C=CCCCOc1ccc(cc1)N 34a_100000185829_100000757094 [0,2,0,0,0,0|1,0,1]=4 8834 B13R1.9 C=CCCCSc1ccc(cc1)Br 62a_100000752885_100000757094 [0,2,0,0,0,0|1,0,1]=4 8835 B13R1.9 C=CCCCSc1ccc(cc1)Br 62a_100011713584_100000752885 [0,2,0,0,0,0|1,0,1]=4 8836 B13R1.9 C=CCCCSc1ccc(cc1)C 62a_100000186775_100000757094 [0,2,0,0,0,0|1,0,1]=4 8837 B13R1.9 C=CCCCSc1ccc(cc1)C 62a_100011713584_100000186775 [0,2,0,0,0,0|1,0,1]=4 8838 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100000755918_100000757094 [0,2,0,0,0,0|1,0,1]=4 8839 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100011713584_100000755918 [0,2,0,0,0,0|1,0,1]=4 8840 B13R1.9 C=CCCCSc1ccc(cc1)F 62a_100000211213_100000757094 [0,2,0,0,0,0|1,0,1]=4 8841 B13R1.9 C=CCCCSc1ccc(cc1)F 62a_100011713584_100000211213 [0,2,0,0,0,0|1,0,1]=4 8842 B13R1.9 C=CCCCSc1ccc(cc1)N 62a_100000185761_100000757094 [0,2,0,0,0,0|1,0,1]=4 8843 B13R1.9 C=CCCCSc1ccc(cc1)N 62a_100011713584_100000185761 [0,2,0,0,0,0|1,0,1]=4 8844 B13R1.9 C=CCCCSc1ccc(cc1)O 62a_100011713584_100000185759 [0,2,0,0,0,0|1,0,1]=4 8845 B13R1.9 C=CCCNCc1ccc(cc1)Br 207a_100015191253_100000186029 [0,2,0,0,0,0|1,0,1]=4 8846 B13R1.9 C=CCCNCc1ccc(cc1)Br 2230a_100000174875_100000754431 [0,2,0,0,0,0|1,0,1]=4 8847 B13R1.9 C=CCCNCc1ccc(cc1)Br 2230a_100015191253_100011217064 [0,2,0,0,0,0|1,0,1]=4 8848 B13R1.9 C=CCCNCc1ccc(cc1)Br 270004a_100015191253_100000186029 [0,2,0,0,0,0|1,0,1]=4 8849 B13R1.9 C=CCCNCc1ccc(cc1)Br 34a_100000174875_100000754431 [0,2,0,0,0,0|1,0,1]=4 8850 B13R1.9 C=CCCNCc1ccc(cc1)C 207a_100015191253_100000211033 [0,2,0,0,0,0|1,0,1]=4 8851 B13R1.9 C=CCCNCc1ccc(cc1)C 2230a_100000174908_100000754431 [0,2,0,0,0,0|1,0,1]=4 8852 B13R1.9 C=CCCNCc1ccc(cc1)C 2230a_100015191253_100000210814 [0,2,0,0,0,0|1,0,1]=4 8853 B13R1.9 C=CCCNCc1ccc(cc1)C 270004a_100015191253_100000211033 [0,2,0,0,0,0|1,0,1]=4 8854 B13R1.9 C=CCCNCc1ccc(cc1)C 34a_100000174908_100000754431 [0,2,0,0,0,0|1,0,1]=4 8855 B13R1.9 C=CCCNCc1ccc(cc1)Cl 207a_100015191253_100000189385 [0,2,0,0,0,0|1,0,1]=4 8856 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000754431 [0,2,0,0,0,0|1,0,1]=4 8857 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100015191253_100000694040 [0,2,0,0,0,0|1,0,1]=4 8858 B13R1.9 C=CCCNCc1ccc(cc1)Cl 270004a_100015191253_100000189385 [0,2,0,0,0,0|1,0,1]=4 8859 B13R1.9 C=CCCNCc1ccc(cc1)Cl 34a_100000174871_100000754431 [0,2,0,0,0,0|1,0,1]=4 8860 B13R1.9 C=CCCNCc1ccc(cc1)F 207a_100015191253_100000210084 [0,2,0,0,0,0|1,0,1]=4 8861 B13R1.9 C=CCCNCc1ccc(cc1)F 2230a_100000174882_100000754431 [0,2,0,0,0,0|1,0,1]=4 8862 B13R1.9 C=CCCNCc1ccc(cc1)F 2230a_100015191253_100000198546 [0,2,0,0,0,0|1,0,1]=4 8863 B13R1.9 C=CCCNCc1ccc(cc1)F 270004a_100015191253_100000210084 [0,2,0,0,0,0|1,0,1]=4 8864 B13R1.9 C=CCCNCc1ccc(cc1)F 34a_100000174882_100000754431 [0,2,0,0,0,0|1,0,1]=4 8865 B13R1.9 C=CCCNCc1ccc(cc1)I 207a_100015191253_100000188517 [0,2,0,0,0,0|1,0,1]=4 8866 B13R1.9 C=CCCNCc1ccc(cc1)I 2230a_100015191253_100000189116 [0,2,0,0,0,0|1,0,1]=4 8867 B13R1.9 C=CCCNCc1ccc(cc1)I 2230a_100016989417_100000754431 [0,2,0,0,0,0|1,0,1]=4 8868 B13R1.9 C=CCCNCc1ccc(cc1)I 34a_100016989417_100000754431 [0,2,0,0,0,0|1,0,1]=4 8869 B13R1.9 C=CCCNCc1ccc(cc1)O 34a_100000185549_100000754431 [0,2,0,0,0,0|1,0,1]=4 8870 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100000695286_100000754431 [0,2,0,0,0,0|1,0,1]=4 8871 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100011205117_100000189115 [0,2,0,0,0,0|1,0,1]=4 8872 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011205117_100000210814 [0,2,0,0,0,0|1,0,1]=4 8873 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011215236_100000754431 [0,2,0,0,0,0|1,0,1]=4 8874 B13R1.9 C=CCCOCc1ccc(cc1)C 7a_100011215236_100000754431 [0,2,0,0,0,0|1,0,1]=4 8875 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100000211118_100000754431 [0,2,0,0,0,0|1,0,1]=4 8876 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100011205117_100000694040 [0,2,0,0,0,0|1,0,1]=4 8877 B13R1.9 C=CCCOCc1ccc(cc1)Cl 7a_100000211118_100000754431 [0,2,0,0,0,0|1,0,1]=4 8878 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100000210977_100000754431 [0,2,0,0,0,0|1,0,1]=4 8879 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100011205117_100000198546 [0,2,0,0,0,0|1,0,1]=4 8880 B13R1.9 C=CCCOCc1ccc(cc1)F 7a_100000210977_100000754431 [0,2,0,0,0,0|1,0,1]=4 8881 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100000690907_100000754431 [0,2,0,0,0,0|1,0,1]=4 8882 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100011205117_100000189116 [0,2,0,0,0,0|1,0,1]=4 8883 B13R1.9 C=CCCOCc1ccc(cc1)I 7a_100000690907_100000754431 [0,2,0,0,0,0|1,0,1]=4 8884 B13R1.9 C=CCCOCc1ccc(cc1)N 34a_100011215238_100000754431 [0,2,0,0,0,0|1,0,1]=4 8885 B13R1.9 C=CCCSCc1ccc(cc1)Br 62a_100000189115_100000754431 [0,2,0,0,0,0|1,0,1]=4 8886 B13R1.9 C=CCCSCc1ccc(cc1)Br 62a_100000754431_100000189115 [0,2,0,0,0,0|1,0,1]=4 8887 B13R1.9 C=CCCSCc1ccc(cc1)C 62a_100000210814_100000754431 [0,2,0,0,0,0|1,0,1]=4 8888 B13R1.9 C=CCCSCc1ccc(cc1)C 62a_100000754431_100000210814 [0,2,0,0,0,0|1,0,1]=4 8889 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000187161_100000754431 [0,2,0,0,0,0|1,0,1]=4 8890 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000754431_100000187161 [0,2,0,0,0,0|1,0,1]=4 8891 B13R1.9 C=CCCSCc1ccc(cc1)F 62a_100000198546_100000754431 [0,2,0,0,0,0|1,0,1]=4 8892 B13R1.9 C=CCCSCc1ccc(cc1)F 62a_100000754431_100000187164 [0,2,0,0,0,0|1,0,1]=4 8893 B13R1.9 C=CCCSCc1ccc(cc1)I 62a_100000189116_100000754431 [0,2,0,0,0,0|1,0,1]=4 8894 B13R1.9 C=CCCSCc1ccc(cc1)I 62a_100000754431_100000189116 [0,2,0,0,0,0|1,0,1]=4 8895 B13R1.9 C=CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210623 [0,2,0,0,0,0|1,0,1]=4 8896 B13R1.9 C=CCNCCc1ccc(cc1)Br 2230a_100020586998_100011740612 [0,2,0,0,0,0|1,0,1]=4 8897 B13R1.9 C=CCNCCc1ccc(cc1)Br 34a_100000755846_100015514636 [0,2,0,0,0,0|1,0,1]=4 8898 B13R1.9 C=CCNCCc1ccc(cc1)C 2230a_100000705350_100000210623 [0,2,0,0,0,0|1,0,1]=4 8899 B13R1.9 C=CCNCCc1ccc(cc1)C 2230a_100020586998_100011713686 [0,2,0,0,0,0|1,0,1]=4 8900 B13R1.9 C=CCNCCc1ccc(cc1)C 34a_100000705350_100015514636 [0,2,0,0,0,0|1,0,1]=4 8901 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210623 [0,2,0,0,0,0|1,0,1]=4 8902 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100020586998_100011713675 [0,2,0,0,0,0|1,0,1]=4 8903 B13R1.9 C=CCNCCc1ccc(cc1)Cl 34a_100000185265_100015514636 [0,2,0,0,0,0|1,0,1]=4 8904 B13R1.9 C=CCNCCc1ccc(cc1)F 2230a_100000199005_100000210623 [0,2,0,0,0,0|1,0,1]=4 8905 B13R1.9 C=CCNCCc1ccc(cc1)F 2230a_100020586998_100011217392 [0,2,0,0,0,0|1,0,1]=4 8906 B13R1.9 C=CCNCCc1ccc(cc1)F 34a_100000199005_100015514636 [0,2,0,0,0,0|1,0,1]=4 8907 B13R1.9 C=CCNCCc1ccc(cc1)O 2230a_100020586998_100009816426 [0,2,0,0,0,0|1,0,1]=4 8908 B13R1.9 C=CCNCCc1ccc(cc1)O 34a_100000743037_100015514636 [0,2,0,0,0,0|1,0,1]=4 8909 B13R1.9 C=CCOCCc1ccc(cc1)Br 34a_100000766406_100015514636 [0,2,0,0,0,0|1,0,1]=4 8910 B13R1.9 C=CCOCCc1ccc(cc1)Br 34a_200000210373_100011740612 [0,2,0,0,0,0|1,0,1]=4 8911 B13R1.9 C=CCOCCc1ccc(cc1)Br 7a_100000766406_100015514636 [0,2,0,0,0,0|1,0,1]=4 8912 B13R1.9 C=CCOCCc1ccc(cc1)C 34a_100000756670_100015514636 [0,2,0,0,0,0|1,0,1]=4 8913 B13R1.9 C=CCOCCc1ccc(cc1)C 34a_200000210373_100011713686 [0,2,0,0,0,0|1,0,1]=4 8914 B13R1.9 C=CCOCCc1ccc(cc1)C 7a_100000756670_100015514636 [0,2,0,0,0,0|1,0,1]=4 8915 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_100011219627_100015514636 [0,2,0,0,0,0|1,0,1]=4 8916 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_200000210373_100011713675 [0,2,0,0,0,0|1,0,1]=4 8917 B13R1.9 C=CCOCCc1ccc(cc1)Cl 7a_100011219627_100015514636 [0,2,0,0,0,0|1,0,1]=4 8918 B13R1.9 C=CCOCCc1ccc(cc1)F 34a_100000754732_100015514636 [0,2,0,0,0,0|1,0,1]=4 8919 B13R1.9 C=CCOCCc1ccc(cc1)F 34a_200000210373_100011217392 [0,2,0,0,0,0|1,0,1]=4 8920 B13R1.9 C=CCOCCc1ccc(cc1)F 7a_100000754732_100015514636 [0,2,0,0,0,0|1,0,1]=4 8921 B13R1.9 C=CCOCCc1ccc(cc1)I 34a_100012291149_100015514636 [0,2,0,0,0,0|1,0,1]=4 8922 B13R1.9 C=CCOCCc1ccc(cc1)I 7a_100012291149_100015514636 [0,2,0,0,0,0|1,0,1]=4 8923 B13R1.9 C=CCOCCc1ccc(cc1)N 34a_100011204434_100015514636 [0,2,0,0,0,0|1,0,1]=4 8924 B13R1.9 C=CCSCCc1ccc(cc1)Br 62a_100000210623_100011740612 [0,2,0,0,0,0|1,0,1]=4 8925 B13R1.9 C=CCSCCc1ccc(cc1)Br 62a_100011740612_100000210623 [0,2,0,0,0,0|1,0,1]=4 8926 B13R1.9 C=CCSCCc1ccc(cc1)C 62a_100000210623_100011713686 [0,2,0,0,0,0|1,0,1]=4 8927 B13R1.9 C=CCSCCc1ccc(cc1)C 62a_100011713686_100000210623 [0,2,0,0,0,0|1,0,1]=4 8928 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100000210623_100011713675 [0,2,0,0,0,0|1,0,1]=4 8929 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210623 [0,2,0,0,0,0|1,0,1]=4 8930 B13R1.9 C=CCSCCc1ccc(cc1)F 62a_100000210623_100011217392 [0,2,0,0,0,0|1,0,1]=4 8931 B13R1.9 C=CCSCCc1ccc(cc1)F 62a_100011217392_100000210623 [0,2,0,0,0,0|1,0,1]=4 8932 B13R1.9 C=CCSCCc1ccc(cc1)O 62a_100000210623_100009816426 [0,2,0,0,0,0|1,0,1]=4 8933 B13R1.9 C=CCSCCc1ccc(cc1)O 62a_100009816426_100000210623 [0,2,0,0,0,0|1,0,1]=4 8934 B13R1.9 CCCCC=Cc1ccc(cc1)Br 271570a_100016275911_100000752885 [0,2,0,0,0,0|1,0,1]=4 8935 B13R1.9 CCCCC=Cc1ccc(cc1)C 271570a_100016275911_100000186775 [0,2,0,0,0,0|1,0,1]=4 8936 B13R1.9 CCCCC=Cc1ccc(cc1)Cl 271570a_100016275911_100000755918 [0,2,0,0,0,0|1,0,1]=4 8937 B13R1.9 CCCCC=Cc1ccc(cc1)F 271570a_100016275911_100000211213 [0,2,0,0,0,0|1,0,1]=4 8938 B13R1.9 CCCCC=Cc1ccc(cc1)N 271570a_100016275911_100000185761 [0,2,0,0,0,0|1,0,1]=4 8939 B13R1.9 CCCCC=Cc1ccc(cc1)O 271570a_100016275911_100000185759 [0,2,0,0,0,0|1,0,1]=4 8940 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [0,2,0,0,0,0|1,0,0]=3 8941 B13R1.9 CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210326 [0,2,0,0,0,0|1,0,0]=3 8942 B13R1.9 CCCCCNc1ccc(cc1)Br 34a_100000210018_100000718602 [0,2,0,0,0,0|1,0,0]=3 8943 B13R1.9 CCCCCNc1ccc(cc1)C 34a_100000124888_100000718602 [0,2,0,0,0,0|1,0,0]=3 8944 B13R1.9 CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210326 [0,2,0,0,0,0|1,0,0]=3 8945 B13R1.9 CCCCCNc1ccc(cc1)Cl 34a_100000210052_100000718602 [0,2,0,0,0,0|1,0,0]=3 8946 B13R1.9 CCCCCNc1ccc(cc1)F 34a_100000185862_100000718602 [0,2,0,0,0,0|1,0,0]=3 8947 B13R1.9 CCCCCNc1ccc(cc1)I 34a_100000185761_100000718602 [0,2,0,0,0,0|1,0,0]=3 8948 B13R1.9 CCCCCNc1ccc(cc1)O 34a_100000185829_100000718602 [0,2,0,0,0,0|1,0,0]=3 8949 B13R1.9 CCCCCNc1ccc(cn1)Br 27a_100000209983_100000686858 [0,2,0,0,0,0|2,0,0]=4 8950 B13R1.9 CCCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000718602 [0,2,0,0,0,0|2,0,0]=4 8951 B13R1.9 CCCCCOc1ccc(cc1)Br 34a_100000185759_100000718602 [0,2,0,0,0,0|1,0,0]=3 8952 B13R1.9 CCCCCOc1ccc(cc1)Br 7a_100000185759_100000210326 [0,2,0,0,0,0|1,0,0]=3 8953 B13R1.9 CCCCCOc1ccc(cc1)C 34a_100000210336_100000718602 [0,2,0,0,0,0|1,0,0]=3 8954 B13R1.9 CCCCCOc1ccc(cc1)C 7a_100000210336_100000210326 [0,2,0,0,0,0|1,0,0]=3 8955 B13R1.9 CCCCCOc1ccc(cc1)Cl 34a_100000210216_100000718602 [0,2,0,0,0,0|1,0,0]=3 8956 B13R1.9 CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210326 [0,2,0,0,0,0|1,0,0]=3 8957 B13R1.9 CCCCCOc1ccc(cc1)F 34a_100000210339_100000718602 [0,2,0,0,0,0|1,0,0]=3 8958 B13R1.9 CCCCCOc1ccc(cc1)I 34a_100000212066_100000718602 [0,2,0,0,0,0|1,0,0]=3 8959 B13R1.9 CCCCCOc1ccc(cc1)I 7a_100000212066_100000210326 [0,2,0,0,0,0|1,0,0]=3 8960 B13R1.9 CCCCCOc1ccc(cc1)N 34a_100000185829_100000718602 [0,2,0,0,0,0|1,0,0]=3 8961 B13R1.9 CCCCCOc1ccc(cc1)O 271570a_203496583355_200011214818 [0,2,0,0,0,0|1,0,0]=3 8962 B13R1.9 CCCCCOc1ccc(cn1)C 34a_100000759353_100000718602 [0,2,0,0,0,0|2,0,0]=4 8963 B13R1.9 CCCCCOc1ccc(cn1)Cl 34a_100011215309_100000718602 [0,2,0,0,0,0|2,0,0]=4 8964 B13R1.9 CCCCCOc1ccc(cn1)F 34a_100000742473_100000718602 [0,2,0,0,0,0|2,0,0]=4 8965 B13R1.9 CCCCCOc1ccc(cn1)N 34a_100000729260_100000718602 [0,2,0,0,0,0|2,0,0]=4 8966 B13R1.9 CCCCCOc1ccc(nc1)Br 34a_100000685995_100000718602 [0,2,0,0,0,0|2,0,0]=4 8967 B13R1.9 CCCCCOc1ccc(nc1)Br 7a_100000685995_100000210326 [0,2,0,0,0,0|2,0,0]=4 8968 B13R1.9 CCCCCOc1ccc(nc1)C 34a_100000745506_100000718602 [0,2,0,0,0,0|2,0,0]=4 8969 B13R1.9 CCCCCOc1ccc(nc1)C 7a_100000745506_100000210326 [0,2,0,0,0,0|2,0,0]=4 8970 B13R1.9 CCCCCOc1ccc(nc1)Cl 34a_100000744096_100000718602 [0,2,0,0,0,0|2,0,0]=4 8971 B13R1.9 CCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210326 [0,2,0,0,0,0|2,0,0]=4 8972 B13R1.9 CCCCCOc1ccc(nc1)F 34a_100000688820_100000718602 [0,2,0,0,0,0|2,0,0]=4 8973 B13R1.9 CCCCCOc1ccc(nc1)F 7a_100000688820_100000210326 [0,2,0,0,0,0|2,0,0]=4 8974 B13R1.9 CCCCCOc1ccc(nc1)I 34a_100000687607_100000718602 [0,2,0,0,0,0|2,0,0]=4 8975 B13R1.9 CCCCCOc1ccc(nc1)I 7a_100000687607_100000210326 [0,2,0,0,0,0|2,0,0]=4 8976 B13R1.9 CCCCCOc1ccc(nc1)N 34a_100015188713_100000718602 [0,2,0,0,0,0|2,0,0]=4 8977 B13R1.9 CCCCCOc1ccc(nc1)N 7a_100015188713_100000210326 [0,2,0,0,0,0|2,0,0]=4 8978 B13R1.9 CCCCCSc1cc[n+](cc1)[O-] 62a_100000210326_100000039755 [0,2,0,0,0,0|2,0,0]=4 8979 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000210326_100000212171 [0,2,0,0,0,0|2,0,0]=4 8980 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210326 [0,2,0,0,0,0|2,0,0]=4 8981 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000210326_100000752885 [0,2,0,0,0,0|1,0,0]=3 8982 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000752885_100000210326 [0,2,0,0,0,0|1,0,0]=3 8983 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000186775_100000210326 [0,2,0,0,0,0|1,0,0]=3 8984 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000210326_100000186775 [0,2,0,0,0,0|1,0,0]=3 8985 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000210326_100000755918 [0,2,0,0,0,0|1,0,0]=3 8986 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210326 [0,2,0,0,0,0|1,0,0]=3 8987 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000210326_100000211213 [0,2,0,0,0,0|1,0,0]=3 8988 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000211213_100000210326 [0,2,0,0,0,0|1,0,0]=3 8989 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000185761_100000210326 [0,2,0,0,0,0|1,0,0]=3 8990 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000210326_100000185761 [0,2,0,0,0,0|1,0,0]=3 8991 B13R1.9 CCCCCSc1ccc(cc1)O 62a_100000210326_100000185759 [0,2,0,0,0,0|1,0,0]=3 8992 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000210326_100000686858 [0,2,0,0,0,0|2,0,0]=4 8993 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000686858_100000210326 [0,2,0,0,0,0|2,0,0]=4 8994 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100000210326_100000754016 [0,2,0,0,0,0|2,0,0]=4 8995 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100011192072_100000210326 [0,2,0,0,0,0|2,0,0]=4 8996 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100000210326_100011356976 [0,2,0,0,0,0|2,0,0]=4 8997 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210326 [0,2,0,0,0,0|2,0,0]=4 8998 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000210326_100000744514 [0,2,0,0,0,0|2,0,0]=4 8999 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000744514_100000210326 [0,2,0,0,0,0|2,0,0]=4 9000 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000210326_100000737798 [0,2,0,0,0,0|2,0,0]=4 9001 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000737798_100000210326 [0,2,0,0,0,0|2,0,0]=4 9002 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000210326_100000744096 [0,2,0,0,0,0|2,0,0]=4 9003 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000685995_100000210326 [0,2,0,0,0,0|2,0,0]=4 9004 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100000210326_100009814638 [0,2,0,0,0,0|2,0,0]=4 9005 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100009814638_100000210326 [0,2,0,0,0,0|2,0,0]=4 9006 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000210326_100000751577 [0,2,0,0,0,0|2,0,0]=4 9007 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000751577_100000210326 [0,2,0,0,0,0|2,0,0]=4 9008 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210326 [0,2,0,0,0,0|2,0,0]=4 9009 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000210326_100000034144 [0,2,0,0,0,0|2,0,0]=4 9010 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000042367_100000210326 [0,2,0,0,0,0|2,0,0]=4 9011 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000210326_100000042367 [0,2,0,0,0,0|2,0,0]=4 9012 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000187370_100000210326 [0,2,0,0,0,0|2,0,0]=4 9013 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000210326_100000187370 [0,2,0,0,0,0|2,0,0]=4 9014 B13R1.9 CCCCNCc1ccc(cc1)Br 207a_100000102301_100000186029 [0,2,0,0,0,0|1,0,0]=3 9015 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000102301_100011217064 [0,2,0,0,0,0|1,0,0]=3 9016 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210211 [0,2,0,0,0,0|1,0,0]=3 9017 B13R1.9 CCCCNCc1ccc(cc1)Br 270004a_100000102301_100000186029 [0,2,0,0,0,0|1,0,0]=3 9018 B13R1.9 CCCCNCc1ccc(cc1)Br 34a_100000174875_100000210210 [0,2,0,0,0,0|1,0,0]=3 9019 B13R1.9 CCCCNCc1ccc(cc1)Br 7a_106832991798_100011217064 [0,2,0,0,0,0|1,0,0]=3 9020 B13R1.9 CCCCNCc1ccc(cc1)C 207a_100000102301_100000211033 [0,2,0,0,0,0|1,0,0]=3 9021 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000102301_100000210814 [0,2,0,0,0,0|1,0,0]=3 9022 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000174908_100000210211 [0,2,0,0,0,0|1,0,0]=3 9023 B13R1.9 CCCCNCc1ccc(cc1)C 270004a_100000102301_100000211033 [0,2,0,0,0,0|1,0,0]=3 9024 B13R1.9 CCCCNCc1ccc(cc1)C 34a_100000174908_100000210210 [0,2,0,0,0,0|1,0,0]=3 9025 B13R1.9 CCCCNCc1ccc(cc1)C 7a_106832991798_100000210814 [0,2,0,0,0,0|1,0,0]=3 9026 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [0,2,0,0,0,0|1,0,0]=3 9027 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [0,2,0,0,0,0|1,0,0]=3 9028 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [0,2,0,0,0,0|1,0,0]=3 9029 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [0,2,0,0,0,0|1,0,0]=3 9030 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [0,2,0,0,0,0|1,0,0]=3 9031 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [0,2,0,0,0,0|1,0,0]=3 9032 B13R1.9 CCCCNCc1ccc(cc1)F 207a_100000102301_100000210084 [0,2,0,0,0,0|1,0,0]=3 9033 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000102301_100000198546 [0,2,0,0,0,0|1,0,0]=3 9034 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000174882_100000210211 [0,2,0,0,0,0|1,0,0]=3 9035 B13R1.9 CCCCNCc1ccc(cc1)F 270004a_100000102301_100000210084 [0,2,0,0,0,0|1,0,0]=3 9036 B13R1.9 CCCCNCc1ccc(cc1)F 34a_100000174882_100000210210 [0,2,0,0,0,0|1,0,0]=3 9037 B13R1.9 CCCCNCc1ccc(cc1)F 7a_106832991798_100000198546 [0,2,0,0,0,0|1,0,0]=3 9038 B13R1.9 CCCCNCc1ccc(cc1)I 207a_100000102301_100000188517 [0,2,0,0,0,0|1,0,0]=3 9039 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100000102301_100000189116 [0,2,0,0,0,0|1,0,0]=3 9040 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100016989417_100000210211 [0,2,0,0,0,0|1,0,0]=3 9041 B13R1.9 CCCCNCc1ccc(cc1)I 34a_100016989417_100000210210 [0,2,0,0,0,0|1,0,0]=3 9042 B13R1.9 CCCCNCc1ccc(cc1)I 7a_106832991798_100000189116 [0,2,0,0,0,0|1,0,0]=3 9043 B13R1.9 CCCCNCc1ccc(cc1)O 271570a_203496583355_100015187156 [0,2,0,0,0,0|1,0,0]=3 9044 B13R1.9 CCCCNCc1ccc(cc1)O 34a_100000185549_100000210210 [0,2,0,0,0,0|1,0,0]=3 9045 B13R1.9 CCCCNCc1ccc(cn1)Br 207a_100000102301_100000754260 [0,2,0,0,0,0|2,0,0]=4 9046 B13R1.9 CCCCNCc1ccc(cn1)Br 2230a_100000102301_100000702658 [0,2,0,0,0,0|2,0,0]=4 9047 B13R1.9 CCCCNCc1ccc(cn1)Br 270004a_100000102301_100000754260 [0,2,0,0,0,0|2,0,0]=4 9048 B13R1.9 CCCCNCc1ccc(cn1)Br 34a_100015188789_100000210210 [0,2,0,0,0,0|2,0,0]=4 9049 B13R1.9 CCCCNCc1ccc(cn1)Br 7a_106832991798_100000702658 [0,2,0,0,0,0|2,0,0]=4 9050 B13R1.9 CCCCNCc1ccc(cn1)C 207a_100000102301_100000050478 [0,2,0,0,0,0|2,0,0]=4 9051 B13R1.9 CCCCNCc1ccc(cn1)C 2230a_100000102301_100000691093 [0,2,0,0,0,0|2,0,0]=4 9052 B13R1.9 CCCCNCc1ccc(cn1)C 270004a_100000102301_100000050478 [0,2,0,0,0,0|2,0,0]=4 9053 B13R1.9 CCCCNCc1ccc(cn1)C 34a_100015187455_100000210210 [0,2,0,0,0,0|2,0,0]=4 9054 B13R1.9 CCCCNCc1ccc(cn1)C 7a_106832991798_100000691093 [0,2,0,0,0,0|2,0,0]=4 9055 B13R1.9 CCCCNCc1ccc(cn1)Cl 207a_100000102301_100011361569 [0,2,0,0,0,0|2,0,0]=4 9056 B13R1.9 CCCCNCc1ccc(cn1)Cl 2230a_100000102301_100012066911 [0,2,0,0,0,0|2,0,0]=4 9057 B13R1.9 CCCCNCc1ccc(cn1)Cl 270004a_100000102301_100011361569 [0,2,0,0,0,0|2,0,0]=4 9058 B13R1.9 CCCCNCc1ccc(cn1)Cl 34a_100000697193_100000210210 [0,2,0,0,0,0|2,0,0]=4 9059 B13R1.9 CCCCNCc1ccc(cn1)Cl 7a_106832991798_100012066911 [0,2,0,0,0,0|2,0,0]=4 9060 B13R1.9 CCCCNCc1ccc(cn1)F 207a_100000102301_100011934744 [0,2,0,0,0,0|2,0,0]=4 9061 B13R1.9 CCCCNCc1ccc(cn1)F 2230a_100000102301_100000703193 [0,2,0,0,0,0|2,0,0]=4 9062 B13R1.9 CCCCNCc1ccc(cn1)F 270004a_100000102301_100011934744 [0,2,0,0,0,0|2,0,0]=4 9063 B13R1.9 CCCCNCc1ccc(cn1)F 34a_100020620131_100000210210 [0,2,0,0,0,0|2,0,0]=4 9064 B13R1.9 CCCCNCc1ccc(cn1)F 7a_106832991798_100000703193 [0,2,0,0,0,0|2,0,0]=4 9065 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100000102301_100009831999 [0,2,0,0,0,0|2,0,0]=4 9066 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210211 [0,2,0,0,0,0|2,0,0]=4 9067 B13R1.9 CCCCNCc1ccc(nc1)Br 34a_100009817727_100000210210 [0,2,0,0,0,0|2,0,0]=4 9068 B13R1.9 CCCCNCc1ccc(nc1)Br 7a_106832991798_100009831999 [0,2,0,0,0,0|2,0,0]=4 9069 B13R1.9 CCCCNCc1ccc(nc1)C 2230a_100000102301_100016987292 [0,2,0,0,0,0|2,0,0]=4 9070 B13R1.9 CCCCNCc1ccc(nc1)C 270004a_100000102301_100000743784 [0,2,0,0,0,0|2,0,0]=4 9071 B13R1.9 CCCCNCc1ccc(nc1)C 34a_100000740942_100000210210 [0,2,0,0,0,0|2,0,0]=4 9072 B13R1.9 CCCCNCc1ccc(nc1)C 7a_106832991798_100016987292 [0,2,0,0,0,0|2,0,0]=4 9073 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000102301_100000735431 [0,2,0,0,0,0|2,0,0]=4 9074 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210211 [0,2,0,0,0,0|2,0,0]=4 9075 B13R1.9 CCCCNCc1ccc(nc1)Cl 34a_100000735879_100000210210 [0,2,0,0,0,0|2,0,0]=4 9076 B13R1.9 CCCCNCc1ccc(nc1)Cl 7a_106832991798_100000735431 [0,2,0,0,0,0|2,0,0]=4 9077 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000101913_100000210211 [0,2,0,0,0,0|2,0,0]=4 9078 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000102301_100009820150 [0,2,0,0,0,0|2,0,0]=4 9079 B13R1.9 CCCCNCc1ccc(nc1)F 34a_100000101913_100000210210 [0,2,0,0,0,0|2,0,0]=4 9080 B13R1.9 CCCCNCc1ccc(nc1)F 7a_106832991798_100009820150 [0,2,0,0,0,0|2,0,0]=4 9081 B13R1.9 CCCCNCc1ccc(nc1)O 207a_100000102301_100011361521 [0,2,0,0,0,0|2,0,0]=4 9082 B13R1.9 CCCCNCc1ccc(nc1)O 2230a_100000757128_100000210211 [0,2,0,0,0,0|2,0,0]=4 9083 B13R1.9 CCCCOCc1cc[n+](cc1)C 34a_100009831711_100000210210 [0,2,0,0,0,0|2,0,0]=4 9084 B13R1.9 CCCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210210 [0,2,0,0,0,0|2,0,0]=4 9085 B13R1.9 CCCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210211 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.9 CCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210210 [0,2,0,0,0,0|2,0,0]=4 9087 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [0,2,0,0,0,0|1,0,0]=3 9088 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [0,2,0,0,0,0|1,0,0]=3 9089 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [0,2,0,0,0,0|1,0,0]=3 9090 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [0,2,0,0,0,0|1,0,0]=3 9091 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [0,2,0,0,0,0|1,0,0]=3 9092 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [0,2,0,0,0,0|1,0,0]=3 9093 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [0,2,0,0,0,0|1,0,0]=3 9094 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [0,2,0,0,0,0|1,0,0]=3 9095 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [0,2,0,0,0,0|1,0,0]=3 9096 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [0,2,0,0,0,0|1,0,0]=3 9097 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [0,2,0,0,0,0|1,0,0]=3 9098 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [0,2,0,0,0,0|1,0,0]=3 9099 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [0,2,0,0,0,0|1,0,0]=3 9100 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [0,2,0,0,0,0|1,0,0]=3 9101 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [0,2,0,0,0,0|1,0,0]=3 9102 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [0,2,0,0,0,0|1,0,0]=3 9103 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [0,2,0,0,0,0|1,0,0]=3 9104 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [0,2,0,0,0,0|1,0,0]=3 9105 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [0,2,0,0,0,0|1,0,0]=3 9106 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [0,2,0,0,0,0|1,0,0]=3 9107 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000210227_100000702658 [0,2,0,0,0,0|2,0,0]=4 9108 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000754261_100000210210 [0,2,0,0,0,0|2,0,0]=4 9109 B13R1.9 CCCCOCc1ccc(cn1)Br 7a_100000210227_100000702658 [0,2,0,0,0,0|2,0,0]=4 9110 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100000210227_100000691093 [0,2,0,0,0,0|2,0,0]=4 9111 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100012001401_100000210210 [0,2,0,0,0,0|2,0,0]=4 9112 B13R1.9 CCCCOCc1ccc(cn1)C 7a_100000210227_100000691093 [0,2,0,0,0,0|2,0,0]=4 9113 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000210227_100012066911 [0,2,0,0,0,0|2,0,0]=4 9114 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000703999_100000210210 [0,2,0,0,0,0|2,0,0]=4 9115 B13R1.9 CCCCOCc1ccc(cn1)Cl 7a_100000210227_100012066911 [0,2,0,0,0,0|2,0,0]=4 9116 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100000210227_100000703193 [0,2,0,0,0,0|2,0,0]=4 9117 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100011999454_100000210210 [0,2,0,0,0,0|2,0,0]=4 9118 B13R1.9 CCCCOCc1ccc(cn1)F 7a_100000210227_100000703193 [0,2,0,0,0,0|2,0,0]=4 9119 B13R1.9 CCCCOCc1ccc(cn1)N 34a_100011998161_100000210210 [0,2,0,0,0,0|2,0,0]=4 9120 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100000210227_100009831999 [0,2,0,0,0,0|2,0,0]=4 9121 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100009816760_100000210210 [0,2,0,0,0,0|2,0,0]=4 9122 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100000210227_100009831999 [0,2,0,0,0,0|2,0,0]=4 9123 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100009816760_100000210211 [0,2,0,0,0,0|2,0,0]=4 9124 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100000210227_100016987292 [0,2,0,0,0,0|2,0,0]=4 9125 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100011248133_100000210210 [0,2,0,0,0,0|2,0,0]=4 9126 B13R1.9 CCCCOCc1ccc(nc1)C 7a_100000210227_100016987292 [0,2,0,0,0,0|2,0,0]=4 9127 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000210227_100000735431 [0,2,0,0,0,0|2,0,0]=4 9128 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210210 [0,2,0,0,0,0|2,0,0]=4 9129 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000210227_100000735431 [0,2,0,0,0,0|2,0,0]=4 9130 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210211 [0,2,0,0,0,0|2,0,0]=4 9131 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000079959_100000210210 [0,2,0,0,0,0|2,0,0]=4 9132 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000210227_100000099788 [0,2,0,0,0,0|2,0,0]=4 9133 B13R1.9 CCCCOCc1ccc(nc1)F 7a_100000210227_100009820150 [0,2,0,0,0,0|2,0,0]=4 9134 B13R1.9 CCCCOCc1ccc(nc1)N 34a_100000704267_100000210210 [0,2,0,0,0,0|2,0,0]=4 9135 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000189115_100000210210 [0,2,0,0,0,0|1,0,0]=3 9136 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000210211_100000189115 [0,2,0,0,0,0|1,0,0]=3 9137 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210211_100000210814 [0,2,0,0,0,0|1,0,0]=3 9138 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210814_100000210210 [0,2,0,0,0,0|1,0,0]=3 9139 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [0,2,0,0,0,0|1,0,0]=3 9140 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [0,2,0,0,0,0|1,0,0]=3 9141 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000198546_100000210210 [0,2,0,0,0,0|1,0,0]=3 9142 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000210211_100000187164 [0,2,0,0,0,0|1,0,0]=3 9143 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000189116_100000210210 [0,2,0,0,0,0|1,0,0]=3 9144 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000210211_100000189116 [0,2,0,0,0,0|1,0,0]=3 9145 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000210211_100000702658 [0,2,0,0,0,0|2,0,0]=4 9146 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000702658_100000210210 [0,2,0,0,0,0|2,0,0]=4 9147 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000210211_100000691093 [0,2,0,0,0,0|2,0,0]=4 9148 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000691093_100000210210 [0,2,0,0,0,0|2,0,0]=4 9149 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100000210211_100000697101 [0,2,0,0,0,0|2,0,0]=4 9150 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100012066911_100000210210 [0,2,0,0,0,0|2,0,0]=4 9151 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000210211_100000703193 [0,2,0,0,0,0|2,0,0]=4 9152 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000703193_100000210210 [0,2,0,0,0,0|2,0,0]=4 9153 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100000210211_100009831999 [0,2,0,0,0,0|2,0,0]=4 9154 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100009831999_100000210210 [0,2,0,0,0,0|2,0,0]=4 9155 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100000210211_100016987292 [0,2,0,0,0,0|2,0,0]=4 9156 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100016987292_100000210210 [0,2,0,0,0,0|2,0,0]=4 9157 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000210211_100000735431 [0,2,0,0,0,0|2,0,0]=4 9158 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210210 [0,2,0,0,0,0|2,0,0]=4 9159 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100000210211_100000099788 [0,2,0,0,0,0|2,0,0]=4 9160 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100009820150_100000210210 [0,2,0,0,0,0|2,0,0]=4 9161 B13R1.9 CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210303 [0,2,0,0,0,0|1,0,0]=3 9162 B13R1.9 CCCNCCc1ccc(cc1)Br 34a_100000755846_100000210303 [0,2,0,0,0,0|1,0,0]=3 9163 B13R1.9 CCCNCCc1ccc(cc1)C 2230a_100000705350_100000210303 [0,2,0,0,0,0|1,0,0]=3 9164 B13R1.9 CCCNCCc1ccc(cc1)C 34a_100000705350_100000210303 [0,2,0,0,0,0|1,0,0]=3 9165 B13R1.9 CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210303 [0,2,0,0,0,0|1,0,0]=3 9166 B13R1.9 CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210303 [0,2,0,0,0,0|1,0,0]=3 9167 B13R1.9 CCCNCCc1ccc(cc1)F 2230a_100000199005_100000210303 [0,2,0,0,0,0|1,0,0]=3 9168 B13R1.9 CCCNCCc1ccc(cc1)F 34a_100000199005_100000210303 [0,2,0,0,0,0|1,0,0]=3 9169 B13R1.9 CCCNCCc1ccc(cc1)O 34a_100000743037_100000210303 [0,2,0,0,0,0|1,0,0]=3 9170 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000210258_100011740612 [0,2,0,0,0,0|1,0,0]=3 9171 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000766406_100000210303 [0,2,0,0,0,0|1,0,0]=3 9172 B13R1.9 CCCOCCc1ccc(cc1)Br 7a_100000766406_100000210303 [0,2,0,0,0,0|1,0,0]=3 9173 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000210258_100011713686 [0,2,0,0,0,0|1,0,0]=3 9174 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000756670_100000210303 [0,2,0,0,0,0|1,0,0]=3 9175 B13R1.9 CCCOCCc1ccc(cc1)C 7a_100000756670_100000210303 [0,2,0,0,0,0|1,0,0]=3 9176 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100000210258_100011713675 [0,2,0,0,0,0|1,0,0]=3 9177 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210303 [0,2,0,0,0,0|1,0,0]=3 9178 B13R1.9 CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210303 [0,2,0,0,0,0|1,0,0]=3 9179 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000210258_100011217392 [0,2,0,0,0,0|1,0,0]=3 9180 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000754732_100000210303 [0,2,0,0,0,0|1,0,0]=3 9181 B13R1.9 CCCOCCc1ccc(cc1)F 7a_100000754732_100000210303 [0,2,0,0,0,0|1,0,0]=3 9182 B13R1.9 CCCOCCc1ccc(cc1)I 34a_100012291149_100000210303 [0,2,0,0,0,0|1,0,0]=3 9183 B13R1.9 CCCOCCc1ccc(cc1)I 7a_100012291149_100000210303 [0,2,0,0,0,0|1,0,0]=3 9184 B13R1.9 CCCOCCc1ccc(cc1)N 34a_100011204434_100000210303 [0,2,0,0,0,0|1,0,0]=3 9185 B13R1.9 CCCOCCc1ccc(cn1)Br 34a_100012357577_100000210303 [0,2,0,0,0,0|2,0,0]=4 9186 B13R1.9 CCCOCCc1ccc(nc1)C 34a_100011815783_100000210303 [0,2,0,0,0,0|2,0,0]=4 9187 B13R1.9 CCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210303 [0,2,0,0,0,0|2,0,0]=4 9188 B13R1.9 CCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210303 [0,2,0,0,0,0|2,0,0]=4 9189 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100000210303_100011740612 [0,2,0,0,0,0|1,0,0]=3 9190 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100011740612_100000210303 [0,2,0,0,0,0|1,0,0]=3 9191 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100000210303_100011713686 [0,2,0,0,0,0|1,0,0]=3 9192 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100011713686_100000210303 [0,2,0,0,0,0|1,0,0]=3 9193 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100000210303_100011713675 [0,2,0,0,0,0|1,0,0]=3 9194 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210303 [0,2,0,0,0,0|1,0,0]=3 9195 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100000210303_100011217392 [0,2,0,0,0,0|1,0,0]=3 9196 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100011217392_100000210303 [0,2,0,0,0,0|1,0,0]=3 9197 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100000210303_100009816426 [0,2,0,0,0,0|1,0,0]=3 9198 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100009816426_100000210303 [0,2,0,0,0,0|1,0,0]=3 9199 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210202 [0,2,0,0,0,0|1,0,0]=3 9200 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100015525214_100011713682 [0,2,0,0,0,0|1,0,0]=3 9201 B13R1.9 CCNCCCc1ccc(cc1)Br 34a_100011297623_100000210202 [0,2,0,0,0,0|1,0,0]=3 9202 B13R1.9 CCNCCCc1ccc(cc1)C 2230a_100011236272_100000210202 [0,2,0,0,0,0|1,0,0]=3 9203 B13R1.9 CCNCCCc1ccc(cc1)C 34a_100011236272_100000210202 [0,2,0,0,0,0|1,0,0]=3 9204 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210202 [0,2,0,0,0,0|1,0,0]=3 9205 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100015525214_100000759440 [0,2,0,0,0,0|1,0,0]=3 9206 B13R1.9 CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210202 [0,2,0,0,0,0|1,0,0]=3 9207 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100015525214_200011713563 [0,2,0,0,0,0|1,0,0]=3 9208 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100025745824_100000210202 [0,2,0,0,0,0|1,0,0]=3 9209 B13R1.9 CCNCCCc1ccc(cc1)F 34a_100025745824_100000210202 [0,2,0,0,0,0|1,0,0]=3 9210 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100000746992_100000210202 [0,2,0,0,0,0|2,0,0]=4 9211 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100015525214_100000183278 [0,2,0,0,0,0|2,0,0]=4 9212 B13R1.9 CCNCCOc1ccc(cc1)Br 34a_100000746992_100000210202 [0,2,0,0,0,0|2,0,0]=4 9213 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100015525214_100000183172 [0,2,0,0,0,0|2,0,0]=4 9214 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100020666663_100000210202 [0,2,0,0,0,0|2,0,0]=4 9215 B13R1.9 CCNCCOc1ccc(cc1)C 34a_100020666663_100000210202 [0,2,0,0,0,0|2,0,0]=4 9216 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000210202 [0,2,0,0,0,0|2,0,0]=4 9217 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100015525214_100000184122 [0,2,0,0,0,0|2,0,0]=4 9218 B13R1.9 CCNCCOc1ccc(cc1)Cl 34a_100000697975_100000210202 [0,2,0,0,0,0|2,0,0]=4 9219 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100000737420_100000210202 [0,2,0,0,0,0|2,0,0]=4 9220 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100015525214_100000184936 [0,2,0,0,0,0|2,0,0]=4 9221 B13R1.9 CCNCCOc1ccc(cc1)F 34a_100000737420_100000210202 [0,2,0,0,0,0|2,0,0]=4 9222 B13R1.9 CCNCCOc1ccc(cc1)O 271570a_203496583355_100000762749 [0,2,0,0,0,0|2,0,0]=4 9223 B13R1.9 CCNCCSc1ccc(cc1)Br 2230a_100000184645_100000210202 [0,2,0,0,0,0|2,0,0]=4 9224 B13R1.9 CCNCCSc1ccc(cc1)C 2230a_100000739754_100000210202 [0,2,0,0,0,0|2,0,0]=4 9225 B13R1.9 CCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000210202 [0,2,0,0,0,0|2,0,0]=4 9226 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100011709247_100000210202 [0,2,0,0,0,0|1,0,0]=3 9227 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100121572206_100011713682 [0,2,0,0,0,0|1,0,0]=3 9228 B13R1.9 CCOCCCc1ccc(cc1)Br 7a_100011709247_100000210202 [0,2,0,0,0,0|1,0,0]=3 9229 B13R1.9 CCOCCCc1ccc(cc1)C 34a_100000189427_100000210202 [0,2,0,0,0,0|1,0,0]=3 9230 B13R1.9 CCOCCCc1ccc(cc1)C 7a_100000189427_100000210202 [0,2,0,0,0,0|1,0,0]=3 9231 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210202 [0,2,0,0,0,0|1,0,0]=3 9232 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100121572206_100000759440 [0,2,0,0,0,0|1,0,0]=3 9233 B13R1.9 CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210202 [0,2,0,0,0,0|1,0,0]=3 9234 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100000757351_100000210202 [0,2,0,0,0,0|1,0,0]=3 9235 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100121572206_200011713563 [0,2,0,0,0,0|1,0,0]=3 9236 B13R1.9 CCOCCCc1ccc(cc1)F 7a_100000757351_100000210202 [0,2,0,0,0,0|1,0,0]=3 9237 B13R1.9 CCOCCNc1ccc(cc1)Br 2230a_100000210018_100011215890 [0,2,0,0,0,0|2,0,0]=4 9238 B13R1.9 CCOCCNc1ccc(cc1)Br 34a_100000210018_100000210147 [0,2,0,0,0,0|2,0,0]=4 9239 B13R1.9 CCOCCNc1ccc(cc1)C 34a_100000124888_100000210147 [0,2,0,0,0,0|2,0,0]=4 9240 B13R1.9 CCOCCNc1ccc(cc1)Cl 2230a_100000210052_100011215890 [0,2,0,0,0,0|2,0,0]=4 9241 B13R1.9 CCOCCNc1ccc(cc1)Cl 34a_100000210052_100000210147 [0,2,0,0,0,0|2,0,0]=4 9242 B13R1.9 CCOCCNc1ccc(cc1)F 34a_100000185862_100000210147 [0,2,0,0,0,0|2,0,0]=4 9243 B13R1.9 CCOCCNc1ccc(cc1)I 34a_100000185761_100000210147 [0,2,0,0,0,0|2,0,0]=4 9244 B13R1.9 CCOCCNc1ccc(cc1)O 34a_100000185829_100000210147 [0,2,0,0,0,0|2,0,0]=4 9245 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000185759_100000210147 [0,2,0,0,0,0|2,0,0]=4 9246 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000686261_100000210202 [0,2,0,0,0,0|2,0,0]=4 9247 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100121572206_100000183278 [0,2,0,0,0,0|2,0,0]=4 9248 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000185759_100011215890 [0,2,0,0,0,0|2,0,0]=4 9249 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000686261_100000210202 [0,2,0,0,0,0|2,0,0]=4 9250 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100000210336_100000210147 [0,2,0,0,0,0|2,0,0]=4 9251 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100011219107_100000210202 [0,2,0,0,0,0|2,0,0]=4 9252 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100121572206_100000183172 [0,2,0,0,0,0|2,0,0]=4 9253 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100000210336_100011215890 [0,2,0,0,0,0|2,0,0]=4 9254 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100011219107_100000210202 [0,2,0,0,0,0|2,0,0]=4 9255 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000210216_100000210147 [0,2,0,0,0,0|2,0,0]=4 9256 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000237962_100000210202 [0,2,0,0,0,0|2,0,0]=4 9257 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100121572206_100000184122 [0,2,0,0,0,0|2,0,0]=4 9258 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000210216_100011215890 [0,2,0,0,0,0|2,0,0]=4 9259 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000237962_100000210202 [0,2,0,0,0,0|2,0,0]=4 9260 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100000210339_100000210147 [0,2,0,0,0,0|2,0,0]=4 9261 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100121572206_100000184936 [0,2,0,0,0,0|2,0,0]=4 9262 B13R1.9 CCOCCOc1ccc(cc1)I 34a_100000212066_100000210147 [0,2,0,0,0,0|2,0,0]=4 9263 B13R1.9 CCOCCOc1ccc(cc1)I 7a_100000212066_100011215890 [0,2,0,0,0,0|2,0,0]=4 9264 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000185829_100000210147 [0,2,0,0,0,0|2,0,0]=4 9265 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000754363_100000210202 [0,2,0,0,0,0|2,0,0]=4 9266 B13R1.9 CCOCCOc1ccc(cc1)O 271570a_203496583355_200000169944 [0,2,0,0,0,0|2,0,0]=4 9267 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000210147_100000752885 [0,2,0,0,0,0|2,0,0]=4 9268 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000752885_100011215890 [0,2,0,0,0,0|2,0,0]=4 9269 B13R1.9 CCOCCSc1ccc(cc1)C 34a_200000230582_100000210202 [0,2,0,0,0,0|2,0,0]=4 9270 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000186775_100011215890 [0,2,0,0,0,0|2,0,0]=4 9271 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000210147_100000186775 [0,2,0,0,0,0|2,0,0]=4 9272 B13R1.9 CCOCCSc1ccc(cc1)C 7a_200000230582_100000210202 [0,2,0,0,0,0|2,0,0]=4 9273 B13R1.9 CCOCCSc1ccc(cc1)Cl 34a_100000230527_100000210202 [0,2,0,0,0,0|2,0,0]=4 9274 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000210147_100000755918 [0,2,0,0,0,0|2,0,0]=4 9275 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000755918_100011215890 [0,2,0,0,0,0|2,0,0]=4 9276 B13R1.9 CCOCCSc1ccc(cc1)Cl 7a_100000230527_100000210202 [0,2,0,0,0,0|2,0,0]=4 9277 B13R1.9 CCOCCSc1ccc(cc1)F 34a_200000230679_100000210202 [0,2,0,0,0,0|2,0,0]=4 9278 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000210147_100000211213 [0,2,0,0,0,0|2,0,0]=4 9279 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000211213_100011215890 [0,2,0,0,0,0|2,0,0]=4 9280 B13R1.9 CCOCCSc1ccc(cc1)F 7a_200000230679_100000210202 [0,2,0,0,0,0|2,0,0]=4 9281 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000185761_100011215890 [0,2,0,0,0,0|2,0,0]=4 9282 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000210147_100000185761 [0,2,0,0,0,0|2,0,0]=4 9283 B13R1.9 CCOCCSc1ccc(cc1)O 62a_100000210147_100000185759 [0,2,0,0,0,0|2,0,0]=4 9284 B13R1.9 CCOCSCc1ccc(cc1)Br 62a_100000189115_100000739092 [0,2,0,0,0,0|2,0,0]=4 9285 B13R1.9 CCOCSCc1ccc(cc1)Br 62a_100000739092_100000189115 [0,2,0,0,0,0|2,0,0]=4 9286 B13R1.9 CCOCSCc1ccc(cc1)C 62a_100000210814_100000739092 [0,2,0,0,0,0|2,0,0]=4 9287 B13R1.9 CCOCSCc1ccc(cc1)C 62a_100000739092_100000210814 [0,2,0,0,0,0|2,0,0]=4 9288 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000187161_100000739092 [0,2,0,0,0,0|2,0,0]=4 9289 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000739092_100000187161 [0,2,0,0,0,0|2,0,0]=4 9290 B13R1.9 CCOCSCc1ccc(cc1)F 62a_100000198546_100000739092 [0,2,0,0,0,0|2,0,0]=4 9291 B13R1.9 CCOCSCc1ccc(cc1)F 62a_100000739092_100000187164 [0,2,0,0,0,0|2,0,0]=4 9292 B13R1.9 CCOCSCc1ccc(cc1)I 62a_100000189116_100000739092 [0,2,0,0,0,0|2,0,0]=4 9293 B13R1.9 CCOCSCc1ccc(cc1)I 62a_100000739092_100000189116 [0,2,0,0,0,0|2,0,0]=4 9294 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100000210202_100011713682 [0,2,0,0,0,0|1,0,0]=3 9295 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100011713682_100000210202 [0,2,0,0,0,0|1,0,0]=3 9296 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000210202_100000759440 [0,2,0,0,0,0|1,0,0]=3 9297 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210202 [0,2,0,0,0,0|1,0,0]=3 9298 B13R1.9 CCSCCCc1ccc(cc1)F 62a_100000210202_200011713563 [0,2,0,0,0,0|1,0,0]=3 9299 B13R1.9 CCSCCCc1ccc(cc1)F 62a_200011713563_100000210202 [0,2,0,0,0,0|1,0,0]=3 9300 B13R1.9 CCSCCNc1ccc(cc1)Br 2230a_100000210018_100000757381 [0,2,0,0,0,0|2,0,0]=4 9301 B13R1.9 CCSCCNc1ccc(cc1)Br 34a_100000210018_100000757381 [0,2,0,0,0,0|2,0,0]=4 9302 B13R1.9 CCSCCNc1ccc(cc1)C 34a_100000124888_100000757381 [0,2,0,0,0,0|2,0,0]=4 9303 B13R1.9 CCSCCNc1ccc(cc1)Cl 2230a_100000210052_100000757381 [0,2,0,0,0,0|2,0,0]=4 9304 B13R1.9 CCSCCNc1ccc(cc1)Cl 34a_100000210052_100000757381 [0,2,0,0,0,0|2,0,0]=4 9305 B13R1.9 CCSCCNc1ccc(cc1)F 34a_100000185862_100000757381 [0,2,0,0,0,0|2,0,0]=4 9306 B13R1.9 CCSCCNc1ccc(cc1)I 34a_100000185761_100000757381 [0,2,0,0,0,0|2,0,0]=4 9307 B13R1.9 CCSCCNc1ccc(cc1)O 34a_100000185829_100000757381 [0,2,0,0,0,0|2,0,0]=4 9308 B13R1.9 CCSCCOc1ccc(cc1)Br 34a_100000185759_100000757381 [0,2,0,0,0,0|2,0,0]=4 9309 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000183278_100000210202 [0,2,0,0,0,0|2,0,0]=4 9310 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000210202_100000183278 [0,2,0,0,0,0|2,0,0]=4 9311 B13R1.9 CCSCCOc1ccc(cc1)Br 7a_100000185759_100000757381 [0,2,0,0,0,0|2,0,0]=4 9312 B13R1.9 CCSCCOc1ccc(cc1)C 34a_100000210336_100000757381 [0,2,0,0,0,0|2,0,0]=4 9313 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000183172_100000210202 [0,2,0,0,0,0|2,0,0]=4 9314 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000210202_100000183172 [0,2,0,0,0,0|2,0,0]=4 9315 B13R1.9 CCSCCOc1ccc(cc1)C 7a_100000210336_100000757381 [0,2,0,0,0,0|2,0,0]=4 9316 B13R1.9 CCSCCOc1ccc(cc1)Cl 34a_100000210216_100000757381 [0,2,0,0,0,0|2,0,0]=4 9317 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000184122_100000210202 [0,2,0,0,0,0|2,0,0]=4 9318 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000210202_100000184122 [0,2,0,0,0,0|2,0,0]=4 9319 B13R1.9 CCSCCOc1ccc(cc1)Cl 7a_100000210216_100000757381 [0,2,0,0,0,0|2,0,0]=4 9320 B13R1.9 CCSCCOc1ccc(cc1)F 34a_100000210339_100000757381 [0,2,0,0,0,0|2,0,0]=4 9321 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000184936_100000210202 [0,2,0,0,0,0|2,0,0]=4 9322 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000210202_100000184936 [0,2,0,0,0,0|2,0,0]=4 9323 B13R1.9 CCSCCOc1ccc(cc1)I 34a_100000212066_100000757381 [0,2,0,0,0,0|2,0,0]=4 9324 B13R1.9 CCSCCOc1ccc(cc1)I 7a_100000212066_100000757381 [0,2,0,0,0,0|2,0,0]=4 9325 B13R1.9 CCSCCOc1ccc(cc1)N 34a_100000185829_100000757381 [0,2,0,0,0,0|2,0,0]=4 9326 B13R1.9 CCSCCSc1ccc(cc1)Br 62a_100000752885_100000757381 [0,2,0,0,0,0|2,0,0]=4 9327 B13R1.9 CCSCCSc1ccc(cc1)Br 62a_100000757381_100000752885 [0,2,0,0,0,0|2,0,0]=4 9328 B13R1.9 CCSCCSc1ccc(cc1)C 62a_100000186775_100000757381 [0,2,0,0,0,0|2,0,0]=4 9329 B13R1.9 CCSCCSc1ccc(cc1)C 62a_100000757381_100000186775 [0,2,0,0,0,0|2,0,0]=4 9330 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000755918_100000757381 [0,2,0,0,0,0|2,0,0]=4 9331 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000757381_100000755918 [0,2,0,0,0,0|2,0,0]=4 9332 B13R1.9 CCSCCSc1ccc(cc1)F 62a_100000211213_100000757381 [0,2,0,0,0,0|2,0,0]=4 9333 B13R1.9 CCSCCSc1ccc(cc1)F 62a_100000757381_100000211213 [0,2,0,0,0,0|2,0,0]=4 9334 B13R1.9 CCSCCSc1ccc(cc1)N 62a_100000185761_100000757381 [0,2,0,0,0,0|2,0,0]=4 9335 B13R1.9 CCSCCSc1ccc(cc1)N 62a_100000757381_100000185761 [0,2,0,0,0,0|2,0,0]=4 9336 B13R1.9 CCSCCSc1ccc(cc1)O 62a_100000757381_100000185759 [0,2,0,0,0,0|2,0,0]=4 9337 B13R1.9 CNCCCCc1ccc(cc1)Br 2230a_106832991635_200012094861 [0,2,0,0,0,0|0,0,0]=2 9338 B13R1.9 CNCCCCc1ccc(cc1)Br 34a_100102657272_200012094861 [0,2,0,0,0,0|0,0,0]=2 9339 B13R1.9 CNCCCCc1ccc(cc1)Br 7a_106832991635_200012094861 [0,2,0,0,0,0|0,0,0]=2 9340 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [0,2,0,0,0,0|0,0,0]=2 9341 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [0,2,0,0,0,0|0,0,0]=2 9342 B13R1.9 CNCCCCc1ccc(cc1)F 2230a_106832991635_100012093538 [0,2,0,0,0,0|0,0,0]=2 9343 B13R1.9 CNCCCCc1ccc(cc1)F 34a_100102657272_100012093538 [0,2,0,0,0,0|0,0,0]=2 9344 B13R1.9 CNCCCCc1ccc(cc1)F 7a_106832991635_100012093538 [0,2,0,0,0,0|0,0,0]=2 9345 B13R1.9 CNCCCOc1ccc(cc1)Br 2230a_106832991635_100011259224 [0,2,0,0,0,0|1,0,0]=3 9346 B13R1.9 CNCCCOc1ccc(cc1)Br 34a_100102657272_100011259224 [0,2,0,0,0,0|1,0,0]=3 9347 B13R1.9 CNCCCOc1ccc(cc1)Br 7a_106832991635_100011259224 [0,2,0,0,0,0|1,0,0]=3 9348 B13R1.9 CNCCCOc1ccc(cc1)C 34a_100000747266_200000210301 [0,2,0,0,0,0|1,0,0]=3 9349 B13R1.9 CNCCCOc1ccc(cc1)Cl 2230a_200011199081_200000210301 [0,2,0,0,0,0|1,0,0]=3 9350 B13R1.9 CNCCCOc1ccc(cc1)Cl 34a_200011199081_200000210301 [0,2,0,0,0,0|1,0,0]=3 9351 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_100000747263_200000210301 [0,2,0,0,0,0|1,0,0]=3 9352 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_106832991635_100000181347 [0,2,0,0,0,0|1,0,0]=3 9353 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100000747263_200000210301 [0,2,0,0,0,0|1,0,0]=3 9354 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100102657272_100000181347 [0,2,0,0,0,0|1,0,0]=3 9355 B13R1.9 CNCCCOc1ccc(cc1)F 7a_106832991635_100000181347 [0,2,0,0,0,0|1,0,0]=3 9356 B13R1.9 CNCCCOc1ccc(cc1)O 271570a_203496583355_100102699777 [0,2,0,0,0,0|1,0,0]=3 9357 B13R1.9 CNCCCSc1ccc(cc1)Cl 2230a_100000189518_200000210301 [0,2,0,0,0,0|1,0,0]=3 9358 B13R1.9 CNCCCSc1ccc(cc1)F 2230a_100000683907_200000210301 [0,2,0,0,0,0|1,0,0]=3 9359 B13R1.9 CNCCOCc1ccc(cc1)Cl 2230a_100000189180_200000210301 [0,2,0,0,0,0|1,0,0]=3 9360 B13R1.9 CNCCOCc1ccc(cc1)Cl 34a_100000189180_200000210301 [0,2,0,0,0,0|1,0,0]=3 9361 B13R1.9 CNCCSCc1ccc(cc1)Cl 2230a_100000739548_200000210301 [0,2,0,0,0,0|1,0,0]=3 9362 B13R1.9 CNCCSCc1ccc(cc1)Cl 34a_100000739548_200000210301 [0,2,0,0,0,0|1,0,0]=3 9363 B13R1.9 CNCCSCc1ccc(cc1)Cl 7a_100000739548_200000210301 [0,2,0,0,0,0|1,0,0]=3 9364 B13R1.9 CNCCSCc1ccc(cc1)F 2230a_100020610864_200000210301 [0,2,0,0,0,0|1,0,0]=3 9365 B13R1.9 CNCCSCc1ccc(cc1)F 34a_100020610864_200000210301 [0,2,0,0,0,0|1,0,0]=3 9366 B13R1.9 CNCCSCc1ccc(cc1)F 7a_100020610864_200000210301 [0,2,0,0,0,0|1,0,0]=3 9367 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [0,2,0,0,0,0|1,0,0]=3 9368 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [0,2,0,0,0,0|1,0,0]=3 9369 B13R1.9 COCCCNc1ccc(cc1)Br 2230a_100000210018_100000740836 [0,2,0,0,0,0|2,0,0]=4 9370 B13R1.9 COCCCNc1ccc(cc1)Br 34a_100000210018_100000740836 [0,2,0,0,0,0|2,0,0]=4 9371 B13R1.9 COCCCNc1ccc(cc1)C 34a_100000124888_100000740836 [0,2,0,0,0,0|2,0,0]=4 9372 B13R1.9 COCCCNc1ccc(cc1)Cl 2230a_100000210052_100000740836 [0,2,0,0,0,0|2,0,0]=4 9373 B13R1.9 COCCCNc1ccc(cc1)Cl 34a_100000210052_100000740836 [0,2,0,0,0,0|2,0,0]=4 9374 B13R1.9 COCCCNc1ccc(cc1)F 34a_100000185862_100000740836 [0,2,0,0,0,0|2,0,0]=4 9375 B13R1.9 COCCCNc1ccc(cc1)I 34a_100000185761_100000740836 [0,2,0,0,0,0|2,0,0]=4 9376 B13R1.9 COCCCNc1ccc(cc1)O 34a_100000185829_100000740836 [0,2,0,0,0,0|2,0,0]=4 9377 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000185759_100000740836 [0,2,0,0,0,0|2,0,0]=4 9378 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000756186_200000210301 [0,2,0,0,0,0|2,0,0]=4 9379 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100138415774_100011259224 [0,2,0,0,0,0|2,0,0]=4 9380 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000185759_100000740836 [0,2,0,0,0,0|2,0,0]=4 9381 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000756186_200000210301 [0,2,0,0,0,0|2,0,0]=4 9382 B13R1.9 COCCCOc1ccc(cc1)C 34a_100000210336_100000740836 [0,2,0,0,0,0|2,0,0]=4 9383 B13R1.9 COCCCOc1ccc(cc1)C 7a_100000210336_100000740836 [0,2,0,0,0,0|2,0,0]=4 9384 B13R1.9 COCCCOc1ccc(cc1)Cl 34a_100000210216_100000740836 [0,2,0,0,0,0|2,0,0]=4 9385 B13R1.9 COCCCOc1ccc(cc1)Cl 7a_100000210216_100000740836 [0,2,0,0,0,0|2,0,0]=4 9386 B13R1.9 COCCCOc1ccc(cc1)F 34a_100000210339_100000740836 [0,2,0,0,0,0|2,0,0]=4 9387 B13R1.9 COCCCOc1ccc(cc1)F 34a_100138415774_100000181347 [0,2,0,0,0,0|2,0,0]=4 9388 B13R1.9 COCCCOc1ccc(cc1)I 34a_100000212066_100000740836 [0,2,0,0,0,0|2,0,0]=4 9389 B13R1.9 COCCCOc1ccc(cc1)I 7a_100000212066_100000740836 [0,2,0,0,0,0|2,0,0]=4 9390 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000185829_100000740836 [0,2,0,0,0,0|2,0,0]=4 9391 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000730458_200000210301 [0,2,0,0,0,0|2,0,0]=4 9392 B13R1.9 COCCCOc1ccc(cc1)O 271570a_203496583355_200011326559 [0,2,0,0,0,0|2,0,0]=4 9393 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000709357_100000752885 [0,2,0,0,0,0|2,0,0]=4 9394 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000752885_100000709357 [0,2,0,0,0,0|2,0,0]=4 9395 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000186775_100000709357 [0,2,0,0,0,0|2,0,0]=4 9396 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000709357_100000186775 [0,2,0,0,0,0|2,0,0]=4 9397 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000709357_100000755918 [0,2,0,0,0,0|2,0,0]=4 9398 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000755918_100000709357 [0,2,0,0,0,0|2,0,0]=4 9399 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000211213_100000709357 [0,2,0,0,0,0|2,0,0]=4 9400 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000709357_100000211213 [0,2,0,0,0,0|2,0,0]=4 9401 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000185761_100000709357 [0,2,0,0,0,0|2,0,0]=4 9402 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000709357_100000185761 [0,2,0,0,0,0|2,0,0]=4 9403 B13R1.9 COCCCSc1ccc(cc1)O 62a_100000709357_100000185759 [0,2,0,0,0,0|2,0,0]=4 9404 B13R1.9 COCCNCc1ccc(cc1)Br 207a_100000209980_100000186029 [0,2,0,0,0,0|2,0,0]=4 9405 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000174875_100011201679 [0,2,0,0,0,0|2,0,0]=4 9406 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000209980_100011217064 [0,2,0,0,0,0|2,0,0]=4 9407 B13R1.9 COCCNCc1ccc(cc1)Br 270004a_100000209980_100000186029 [0,2,0,0,0,0|2,0,0]=4 9408 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000174875_100011201679 [0,2,0,0,0,0|2,0,0]=4 9409 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 9410 B13R1.9 COCCNCc1ccc(cc1)C 207a_100000209980_100000211033 [0,2,0,0,0,0|2,0,0]=4 9411 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000174908_100011201679 [0,2,0,0,0,0|2,0,0]=4 9412 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000209980_100000210814 [0,2,0,0,0,0|2,0,0]=4 9413 B13R1.9 COCCNCc1ccc(cc1)C 270004a_100000209980_100000211033 [0,2,0,0,0,0|2,0,0]=4 9414 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000174908_100011201679 [0,2,0,0,0,0|2,0,0]=4 9415 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 9416 B13R1.9 COCCNCc1ccc(cc1)Cl 207a_100000209980_100000189385 [0,2,0,0,0,0|2,0,0]=4 9417 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000174871_100011201679 [0,2,0,0,0,0|2,0,0]=4 9418 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000209980_100000694040 [0,2,0,0,0,0|2,0,0]=4 9419 B13R1.9 COCCNCc1ccc(cc1)Cl 270004a_100000209980_100000189385 [0,2,0,0,0,0|2,0,0]=4 9420 B13R1.9 COCCNCc1ccc(cc1)Cl 34a_100000174871_100011201679 [0,2,0,0,0,0|2,0,0]=4 9421 B13R1.9 COCCNCc1ccc(cc1)F 207a_100000209980_100000210084 [0,2,0,0,0,0|2,0,0]=4 9422 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000174882_100011201679 [0,2,0,0,0,0|2,0,0]=4 9423 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000209980_100000198546 [0,2,0,0,0,0|2,0,0]=4 9424 B13R1.9 COCCNCc1ccc(cc1)F 270004a_100000209980_100000210084 [0,2,0,0,0,0|2,0,0]=4 9425 B13R1.9 COCCNCc1ccc(cc1)F 34a_100000174882_100011201679 [0,2,0,0,0,0|2,0,0]=4 9426 B13R1.9 COCCNCc1ccc(cc1)F 34a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 9427 B13R1.9 COCCNCc1ccc(cc1)I 207a_100000209980_100000188517 [0,2,0,0,0,0|2,0,0]=4 9428 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100000209980_100000189116 [0,2,0,0,0,0|2,0,0]=4 9429 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100016989417_100011201679 [0,2,0,0,0,0|2,0,0]=4 9430 B13R1.9 COCCNCc1ccc(cc1)I 34a_100016989417_100011201679 [0,2,0,0,0,0|2,0,0]=4 9431 B13R1.9 COCCNCc1ccc(cc1)O 271570a_203496583355_100015187160 [0,2,0,0,0,0|2,0,0]=4 9432 B13R1.9 COCCNCc1ccc(cc1)O 34a_100000185549_100011201679 [0,2,0,0,0,0|2,0,0]=4 9433 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000210237_100000189115 [0,2,0,0,0,0|2,0,0]=4 9434 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000695286_100011201679 [0,2,0,0,0,0|2,0,0]=4 9435 B13R1.9 COCCOCc1ccc(cc1)C 34a_100000210237_100000210814 [0,2,0,0,0,0|2,0,0]=4 9436 B13R1.9 COCCOCc1ccc(cc1)C 34a_100011215236_100011201679 [0,2,0,0,0,0|2,0,0]=4 9437 B13R1.9 COCCOCc1ccc(cc1)C 7a_100011215236_100000233755 [0,2,0,0,0,0|2,0,0]=4 9438 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000210237_100000694040 [0,2,0,0,0,0|2,0,0]=4 9439 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000211118_100011201679 [0,2,0,0,0,0|2,0,0]=4 9440 B13R1.9 COCCOCc1ccc(cc1)Cl 7a_100000211118_100000233755 [0,2,0,0,0,0|2,0,0]=4 9441 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210237_100000198546 [0,2,0,0,0,0|2,0,0]=4 9442 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210977_100011201679 [0,2,0,0,0,0|2,0,0]=4 9443 B13R1.9 COCCOCc1ccc(cc1)F 7a_100000210977_100000233755 [0,2,0,0,0,0|2,0,0]=4 9444 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000210237_100000189116 [0,2,0,0,0,0|2,0,0]=4 9445 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000690907_100011201679 [0,2,0,0,0,0|2,0,0]=4 9446 B13R1.9 COCCOCc1ccc(cc1)I 7a_100000690907_100000233755 [0,2,0,0,0,0|2,0,0]=4 9447 B13R1.9 COCCOCc1ccc(cc1)N 34a_100011215238_100011201679 [0,2,0,0,0,0|2,0,0]=4 9448 B13R1.9 COCCOCc1ccc(cc1)O 271570a_203496583355_100000755069 [0,2,0,0,0,0|2,0,0]=4 9449 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000189115_100000233755 [0,2,0,0,0,0|2,0,0]=4 9450 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000233755_100000189115 [0,2,0,0,0,0|2,0,0]=4 9451 B13R1.9 COCCSCc1ccc(cc1)C 34a_100011212911_200000210301 [0,2,0,0,0,0|2,0,0]=4 9452 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000210814_100000233755 [0,2,0,0,0,0|2,0,0]=4 9453 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000233755_100000210814 [0,2,0,0,0,0|2,0,0]=4 9454 B13R1.9 COCCSCc1ccc(cc1)C 7a_100011212911_200000210301 [0,2,0,0,0,0|2,0,0]=4 9455 B13R1.9 COCCSCc1ccc(cc1)Cl 34a_200000186141_200000210301 [0,2,0,0,0,0|2,0,0]=4 9456 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000187161_100000233755 [0,2,0,0,0,0|2,0,0]=4 9457 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000233755_100000187161 [0,2,0,0,0,0|2,0,0]=4 9458 B13R1.9 COCCSCc1ccc(cc1)Cl 7a_200000186141_200000210301 [0,2,0,0,0,0|2,0,0]=4 9459 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000198546_100000233755 [0,2,0,0,0,0|2,0,0]=4 9460 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000233755_100000187164 [0,2,0,0,0,0|2,0,0]=4 9461 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000189116_100000233755 [0,2,0,0,0,0|2,0,0]=4 9462 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000233755_100000189116 [0,2,0,0,0,0|2,0,0]=4 9463 B13R1.9 COCNCCc1ccc(cc1)Br 2230a_100000755846_100000766300 [0,2,0,0,0,0|2,0,0]=4 9464 B13R1.9 COCNCCc1ccc(cc1)C 2230a_100000705350_100000766300 [0,2,0,0,0,0|2,0,0]=4 9465 B13R1.9 COCNCCc1ccc(cc1)Cl 2230a_100000185265_100000766300 [0,2,0,0,0,0|2,0,0]=4 9466 B13R1.9 COCNCCc1ccc(cc1)F 2230a_100000199005_100000766300 [0,2,0,0,0,0|2,0,0]=4 9467 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100000766300_100011740612 [0,2,0,0,0,0|2,0,0]=4 9468 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100011740612_100000766300 [0,2,0,0,0,0|2,0,0]=4 9469 B13R1.9 COCSCCc1ccc(cc1)C 62a_100000766300_100011713686 [0,2,0,0,0,0|2,0,0]=4 9470 B13R1.9 COCSCCc1ccc(cc1)C 62a_100011713686_100000766300 [0,2,0,0,0,0|2,0,0]=4 9471 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100000766300_100011713675 [0,2,0,0,0,0|2,0,0]=4 9472 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100011713675_100000766300 [0,2,0,0,0,0|2,0,0]=4 9473 B13R1.9 COCSCCc1ccc(cc1)F 62a_100000766300_100011217392 [0,2,0,0,0,0|2,0,0]=4 9474 B13R1.9 COCSCCc1ccc(cc1)F 62a_100011217392_100000766300 [0,2,0,0,0,0|2,0,0]=4 9475 B13R1.9 COCSCCc1ccc(cc1)O 62a_100000766300_100009816426 [0,2,0,0,0,0|2,0,0]=4 9476 B13R1.9 COCSCCc1ccc(cc1)O 62a_100009816426_100000766300 [0,2,0,0,0,0|2,0,0]=4 9477 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200000210301_200012094861 [0,2,0,0,0,0|1,0,0]=3 9478 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200012094861_200000210301 [0,2,0,0,0,0|1,0,0]=3 9479 B13R1.9 CSCCCCc1ccc(cc1)F 62a_100012093538_200000210301 [0,2,0,0,0,0|1,0,0]=3 9480 B13R1.9 CSCCCCc1ccc(cc1)F 62a_200000210301_100012093538 [0,2,0,0,0,0|1,0,0]=3 9481 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_100011259224_200000210301 [0,2,0,0,0,0|2,0,0]=4 9482 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_200000210301_100011259224 [0,2,0,0,0,0|2,0,0]=4 9483 B13R1.9 CSCCCOc1ccc(cc1)F 62a_100000181347_200000210301 [0,2,0,0,0,0|2,0,0]=4 9484 B13R1.9 CSCCCOc1ccc(cc1)F 62a_200000210301_100000181347 [0,2,0,0,0,0|2,0,0]=4 9485 B13R1.9 CSCCNCc1ccc(cc1)Br 207a_100020590264_100000186029 [0,2,0,0,0,0|2,0,0]=4 9486 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100000174875_100000751147 [0,2,0,0,0,0|2,0,0]=4 9487 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100020590264_100011217064 [0,2,0,0,0,0|2,0,0]=4 9488 B13R1.9 CSCCNCc1ccc(cc1)Br 270004a_100020590264_100000186029 [0,2,0,0,0,0|2,0,0]=4 9489 B13R1.9 CSCCNCc1ccc(cc1)Br 34a_100000174875_100000212216 [0,2,0,0,0,0|2,0,0]=4 9490 B13R1.9 CSCCNCc1ccc(cc1)C 207a_100020590264_100000211033 [0,2,0,0,0,0|2,0,0]=4 9491 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100000174908_100000751147 [0,2,0,0,0,0|2,0,0]=4 9492 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100020590264_100000210814 [0,2,0,0,0,0|2,0,0]=4 9493 B13R1.9 CSCCNCc1ccc(cc1)C 270004a_100020590264_100000211033 [0,2,0,0,0,0|2,0,0]=4 9494 B13R1.9 CSCCNCc1ccc(cc1)C 34a_100000174908_100000212216 [0,2,0,0,0,0|2,0,0]=4 9495 B13R1.9 CSCCNCc1ccc(cc1)Cl 207a_100020590264_100000189385 [0,2,0,0,0,0|2,0,0]=4 9496 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100000174871_100000751147 [0,2,0,0,0,0|2,0,0]=4 9497 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100020590264_100000694040 [0,2,0,0,0,0|2,0,0]=4 9498 B13R1.9 CSCCNCc1ccc(cc1)Cl 270004a_100020590264_100000189385 [0,2,0,0,0,0|2,0,0]=4 9499 B13R1.9 CSCCNCc1ccc(cc1)Cl 34a_100000174871_100000212216 [0,2,0,0,0,0|2,0,0]=4 9500 B13R1.9 CSCCNCc1ccc(cc1)F 207a_100020590264_100000210084 [0,2,0,0,0,0|2,0,0]=4 9501 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100000174882_100000751147 [0,2,0,0,0,0|2,0,0]=4 9502 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100020590264_100000198546 [0,2,0,0,0,0|2,0,0]=4 9503 B13R1.9 CSCCNCc1ccc(cc1)F 270004a_100020590264_100000210084 [0,2,0,0,0,0|2,0,0]=4 9504 B13R1.9 CSCCNCc1ccc(cc1)F 34a_100000174882_100000212216 [0,2,0,0,0,0|2,0,0]=4 9505 B13R1.9 CSCCNCc1ccc(cc1)I 207a_100020590264_100000188517 [0,2,0,0,0,0|2,0,0]=4 9506 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100016989417_100000751147 [0,2,0,0,0,0|2,0,0]=4 9507 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100020590264_100000189116 [0,2,0,0,0,0|2,0,0]=4 9508 B13R1.9 CSCCNCc1ccc(cc1)I 34a_100016989417_100000212216 [0,2,0,0,0,0|2,0,0]=4 9509 B13R1.9 CSCCNCc1ccc(cc1)O 34a_100000185549_100000212216 [0,2,0,0,0,0|2,0,0]=4 9510 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000230434_100000189115 [0,2,0,0,0,0|2,0,0]=4 9511 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000695286_100000212216 [0,2,0,0,0,0|2,0,0]=4 9512 B13R1.9 CSCCOCc1ccc(cc1)Br 7a_100000230434_100011217064 [0,2,0,0,0,0|2,0,0]=4 9513 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100000230434_100000210814 [0,2,0,0,0,0|2,0,0]=4 9514 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100011215236_100000212216 [0,2,0,0,0,0|2,0,0]=4 9515 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100000230434_100000210814 [0,2,0,0,0,0|2,0,0]=4 9516 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100011215236_100000212216 [0,2,0,0,0,0|2,0,0]=4 9517 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000211118_100000212216 [0,2,0,0,0,0|2,0,0]=4 9518 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000230434_100000694040 [0,2,0,0,0,0|2,0,0]=4 9519 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000211118_100000212216 [0,2,0,0,0,0|2,0,0]=4 9520 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000230434_100000187161 [0,2,0,0,0,0|2,0,0]=4 9521 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000210977_100000212216 [0,2,0,0,0,0|2,0,0]=4 9522 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000230434_100000198546 [0,2,0,0,0,0|2,0,0]=4 9523 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000210977_100000212216 [0,2,0,0,0,0|2,0,0]=4 9524 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000230434_100000198546 [0,2,0,0,0,0|2,0,0]=4 9525 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000230434_100000189116 [0,2,0,0,0,0|2,0,0]=4 9526 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000690907_100000212216 [0,2,0,0,0,0|2,0,0]=4 9527 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000230434_100000189116 [0,2,0,0,0,0|2,0,0]=4 9528 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000690907_100000212216 [0,2,0,0,0,0|2,0,0]=4 9529 B13R1.9 CSCCOCc1ccc(cc1)N 34a_100011215238_100000212216 [0,2,0,0,0,0|2,0,0]=4 9530 B13R1.9 CSCCSCc1ccc(cc1)Br 62a_100000189115_100000751147 [0,2,0,0,0,0|2,0,0]=4 9531 B13R1.9 CSCCSCc1ccc(cc1)Br 62a_100000212216_100000189115 [0,2,0,0,0,0|2,0,0]=4 9532 B13R1.9 CSCCSCc1ccc(cc1)C 62a_100000210814_100000751147 [0,2,0,0,0,0|2,0,0]=4 9533 B13R1.9 CSCCSCc1ccc(cc1)C 62a_100000212216_100000210814 [0,2,0,0,0,0|2,0,0]=4 9534 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000187161_100000751147 [0,2,0,0,0,0|2,0,0]=4 9535 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000212216_100000187161 [0,2,0,0,0,0|2,0,0]=4 9536 B13R1.9 CSCCSCc1ccc(cc1)F 62a_100000198546_100000751147 [0,2,0,0,0,0|2,0,0]=4 9537 B13R1.9 CSCCSCc1ccc(cc1)F 62a_100000212216_100000187164 [0,2,0,0,0,0|2,0,0]=4 9538 B13R1.9 CSCCSCc1ccc(cc1)I 62a_100000189116_100000751147 [0,2,0,0,0,0|2,0,0]=4 9539 B13R1.9 CSCCSCc1ccc(cc1)I 62a_100000212216_100000189116 [0,2,0,0,0,0|2,0,0]=4 9540 B13R1.9 CSCNCCc1ccc(cc1)Br 2230a_100000755846_100011218213 [0,2,0,0,0,0|2,0,0]=4 9541 B13R1.9 CSCNCCc1ccc(cc1)Br 34a_100000755846_100011218213 [0,2,0,0,0,0|2,0,0]=4 9542 B13R1.9 CSCNCCc1ccc(cc1)C 2230a_100000705350_100011218213 [0,2,0,0,0,0|2,0,0]=4 9543 B13R1.9 CSCNCCc1ccc(cc1)C 34a_100000705350_100011218213 [0,2,0,0,0,0|2,0,0]=4 9544 B13R1.9 CSCNCCc1ccc(cc1)Cl 2230a_100000185265_100011218213 [0,2,0,0,0,0|2,0,0]=4 9545 B13R1.9 CSCNCCc1ccc(cc1)Cl 34a_100000185265_100011218213 [0,2,0,0,0,0|2,0,0]=4 9546 B13R1.9 CSCNCCc1ccc(cc1)F 2230a_100000199005_100011218213 [0,2,0,0,0,0|2,0,0]=4 9547 B13R1.9 CSCNCCc1ccc(cc1)F 34a_100000199005_100011218213 [0,2,0,0,0,0|2,0,0]=4 9548 B13R1.9 CSCNCCc1ccc(cc1)O 34a_100000743037_100011218213 [0,2,0,0,0,0|2,0,0]=4 9549 B13R1.9 CSCOCCc1ccc(cc1)Br 34a_100000766406_100011218213 [0,2,0,0,0,0|2,0,0]=4 9550 B13R1.9 CSCOCCc1ccc(cc1)C 34a_100000756670_100011218213 [0,2,0,0,0,0|2,0,0]=4 9551 B13R1.9 CSCOCCc1ccc(cc1)Cl 34a_100011219627_100011218213 [0,2,0,0,0,0|2,0,0]=4 9552 B13R1.9 CSCOCCc1ccc(cc1)F 34a_100000754732_100011218213 [0,2,0,0,0,0|2,0,0]=4 9553 B13R1.9 CSCOCCc1ccc(cc1)I 34a_100012291149_100011218213 [0,2,0,0,0,0|2,0,0]=4 9554 B13R1.9 CSCOCCc1ccc(cc1)N 34a_100011204434_100011218213 [0,2,0,0,0,0|2,0,0]=4 9555 B13R1.9 CSCSCCc1ccc(cc1)Br 62a_100011218213_100011740612 [0,2,0,0,0,0|2,0,0]=4 9556 B13R1.9 CSCSCCc1ccc(cc1)Br 62a_100011740612_100011218213 [0,2,0,0,0,0|2,0,0]=4 9557 B13R1.9 CSCSCCc1ccc(cc1)C 62a_100011218213_100011713686 [0,2,0,0,0,0|2,0,0]=4 9558 B13R1.9 CSCSCCc1ccc(cc1)C 62a_100011713686_100011218213 [0,2,0,0,0,0|2,0,0]=4 9559 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011218213_100011713675 [0,2,0,0,0,0|2,0,0]=4 9560 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011713675_100011218213 [0,2,0,0,0,0|2,0,0]=4 9561 B13R1.9 CSCSCCc1ccc(cc1)F 62a_100011217392_100011218213 [0,2,0,0,0,0|2,0,0]=4 9562 B13R1.9 CSCSCCc1ccc(cc1)F 62a_100011218213_100011217392 [0,2,0,0,0,0|2,0,0]=4 9563 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100009816426_100011218213 [0,2,0,0,0,0|2,0,0]=4 9564 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100011218213_100009816426 [0,2,0,0,0,0|2,0,0]=4 9565 B13R1.9 C[n+]1ccc(cc1)COCCCF 34a_100009831711_100011934791 [0,2,0,0,0,0|2,0,0]=4 9566 B13R1.9 C[n+]1ccc(cc1)COCCCO 34a_100009831711_100000230001 [0,2,0,0,0,0|2,0,0]=4 9567 B13R1.9 Cc1ccc(cc1)CCCNCF 34a_100011236272_100015361967 [0,2,0,0,0,0|1,0,0]=3 9568 B13R1.9 Cc1ccc(cc1)CCCOCF 34a_100000189427_100015361967 [0,2,0,0,0,0|1,0,0]=3 9569 B13R1.9 Cc1ccc(cc1)CCCOCF 7a_100000189427_100015361967 [0,2,0,0,0,0|1,0,0]=3 9570 B13R1.9 Cc1ccc(cc1)CCNCC#N 2230a_100000705350_100011215382 [0,2,0,0,0,0|0,0,2]=4 9571 B13R1.9 Cc1ccc(cc1)CCNCC=O 2230a_100000705350_200015260668 [0,2,0,0,0,0|1,0,1]=4 9572 B13R1.9 Cc1ccc(cc1)CCNCC=O 34a_100000705350_200009817547 [0,2,0,0,0,0|1,0,1]=4 9573 B13R1.9 Cc1ccc(cc1)CCNCCF 2230a_100000705350_100011217306 [0,2,0,0,0,0|1,0,0]=3 9574 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000705350_100011217306 [0,2,0,0,0,0|1,0,0]=3 9575 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000724931_100011713686 [0,2,0,0,0,0|1,0,0]=3 9576 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100000705350_100000211926 [0,2,0,0,0,0|1,0,0]=3 9577 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100016997473_100011713686 [0,2,0,0,0,0|1,0,0]=3 9578 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100000705350_100000211926 [0,2,0,0,0,0|1,0,0]=3 9579 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100016990907_100011713686 [0,2,0,0,0,0|1,0,0]=3 9580 B13R1.9 Cc1ccc(cc1)CCOCC#N 7a_100000756670_100011215382 [0,2,0,0,0,0|0,0,2]=4 9581 B13R1.9 Cc1ccc(cc1)CCOCC=O 34a_100000756670_200009817547 [0,2,0,0,0,0|1,0,1]=4 9582 B13R1.9 Cc1ccc(cc1)CCOCC=O 7a_100000756670_200015260668 [0,2,0,0,0,0|1,0,1]=4 9583 B13R1.9 Cc1ccc(cc1)CCOCCBr 34a_100000211926_100011713686 [0,2,0,0,0,0|1,0,0]=3 9584 B13R1.9 Cc1ccc(cc1)CCOCCF 34a_100000756670_100011217306 [0,2,0,0,0,0|1,0,0]=3 9585 B13R1.9 Cc1ccc(cc1)CCOCCF 7a_100000756670_100011217306 [0,2,0,0,0,0|1,0,0]=3 9586 B13R1.9 Cc1ccc(cc1)CCOCCN 34a_100000210304_100011713686 [0,2,0,0,0,0|0,0,0]=2 9587 B13R1.9 Cc1ccc(cc1)CCOCCO 34a_100000756670_100000211926 [0,2,0,0,0,0|1,0,0]=3 9588 B13R1.9 Cc1ccc(cc1)CCOCCO 7a_100000756670_100000211926 [0,2,0,0,0,0|1,0,0]=3 9589 B13R1.9 Cc1ccc(cc1)CCSCC#N 62a_100011215382_100011713686 [0,2,0,0,0,0|0,0,2]=4 9590 B13R1.9 Cc1ccc(cc1)CCSCC#N 62a_100011713686_100011215382 [0,2,0,0,0,0|0,0,2]=4 9591 B13R1.9 Cc1ccc(cc1)CCSCC=O 62a_100011713686_200015260668 [0,2,0,0,0,0|1,0,1]=4 9592 B13R1.9 Cc1ccc(cc1)CCSCC=O 62a_200015260668_100011713686 [0,2,0,0,0,0|1,0,1]=4 9593 B13R1.9 Cc1ccc(cc1)CCSCCF 62a_100011217306_100011713686 [0,2,0,0,0,0|1,0,0]=3 9594 B13R1.9 Cc1ccc(cc1)CCSCCF 62a_100011713686_100011217306 [0,2,0,0,0,0|1,0,0]=3 9595 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100000211926_100011713686 [0,2,0,0,0,0|1,0,0]=3 9596 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100011713686_100000211926 [0,2,0,0,0,0|1,0,0]=3 9597 B13R1.9 Cc1ccc(cc1)CNCCC#N 2230a_100000174908_100011215226 [0,2,0,0,0,0|0,0,2]=4 9598 B13R1.9 Cc1ccc(cc1)CNCCC#N 270004a_100000720768_100000211033 [0,2,0,0,0,0|0,0,2]=4 9599 B13R1.9 Cc1ccc(cc1)CNCCCF 207a_100015189416_100000211033 [0,2,0,0,0,0|1,0,0]=3 9600 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100000174908_100011934791 [0,2,0,0,0,0|1,0,0]=3 9601 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000210814 [0,2,0,0,0,0|1,0,0]=3 9602 B13R1.9 Cc1ccc(cc1)CNCCCF 270004a_100015189416_100000211033 [0,2,0,0,0,0|1,0,0]=3 9603 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100000174908_100011934791 [0,2,0,0,0,0|1,0,0]=3 9604 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100015189416_100000210814 [0,2,0,0,0,0|1,0,0]=3 9605 B13R1.9 Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211033 [0,2,0,0,0,0|1,0,0]=3 9606 B13R1.9 Cc1ccc(cc1)CNCCCO 2230a_100000174908_100000230001 [0,2,0,0,0,0|1,0,0]=3 9607 B13R1.9 Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211033 [0,2,0,0,0,0|1,0,0]=3 9608 B13R1.9 Cc1ccc(cc1)CNCCCO 34a_100000174908_100000230001 [0,2,0,0,0,0|1,0,0]=3 9609 B13R1.9 Cc1ccc(cc1)CNCCO[13CH3] 34a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 9610 B13R1.9 Cc1ccc(cc1)COCCC#N 7a_100011215236_100000184422 [0,2,0,0,0,0|0,0,2]=4 9611 B13R1.9 Cc1ccc(cc1)COCCCBr 34a_100011217188_100000210814 [0,2,0,0,0,0|1,0,0]=3 9612 B13R1.9 Cc1ccc(cc1)COCCCCl 34a_100000230001_100000210814 [0,2,0,0,0,0|1,0,0]=3 9613 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100000759539_100000210814 [0,2,0,0,0,0|1,0,0]=3 9614 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100011215236_100011934791 [0,2,0,0,0,0|1,0,0]=3 9615 B13R1.9 Cc1ccc(cc1)COCCCF 7a_100011215236_100011934791 [0,2,0,0,0,0|1,0,0]=3 9616 B13R1.9 Cc1ccc(cc1)COCCCN 34a_100000182051_100000210814 [0,2,0,0,0,0|0,0,0]=2 9617 B13R1.9 Cc1ccc(cc1)COCCCO 34a_100011215236_100000230001 [0,2,0,0,0,0|1,0,0]=3 9618 B13R1.9 Cc1ccc(cc1)COCCCO 7a_100011215236_100011215043 [0,2,0,0,0,0|1,0,0]=3 9619 B13R1.9 Cc1ccc(cc1)COCCON 34a_100000700252_100000210814 [0,2,0,0,0,0|1,0,0]=3 9620 B13R1.9 Cc1ccc(cc1)CSCCC#N 62a_100000210814_100011215226 [0,2,0,0,0,0|0,0,2]=4 9621 B13R1.9 Cc1ccc(cc1)CSCCC#N 62a_100011215226_100000210814 [0,2,0,0,0,0|0,0,2]=4 9622 B13R1.9 Cc1ccc(cc1)CSCCCF 62a_100000210814_100011934791 [0,2,0,0,0,0|1,0,0]=3 9623 B13R1.9 Cc1ccc(cc1)CSCCCF 62a_100011934791_100000210814 [0,2,0,0,0,0|1,0,0]=3 9624 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100000210814_100011215043 [0,2,0,0,0,0|1,0,0]=3 9625 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100011215043_100000210814 [0,2,0,0,0,0|1,0,0]=3 9626 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 34a_100011212911_200025704644 [0,2,0,0,0,0|2,0,0]=4 9627 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 7a_100011212911_200025704644 [0,2,0,0,0,0|2,0,0]=4 9628 B13R1.9 Cc1ccc(cc1)NCCCCF 34a_100000124888_100000729493 [0,2,0,0,0,0|1,0,0]=3 9629 B13R1.9 Cc1ccc(cc1)NCCCCO 34a_100000124888_100011216708 [0,2,0,0,0,0|1,0,0]=3 9630 B13R1.9 Cc1ccc(cc1)OCCCC#N 7a_100000210336_100000687738 [0,2,0,0,0,0|0,0,2]=4 9631 B13R1.9 Cc1ccc(cc1)OCCCC=O 7a_100000210336_200011292268 [0,2,0,0,0,0|1,0,1]=4 9632 B13R1.9 Cc1ccc(cc1)OCCCCF 34a_100000210336_100000729493 [0,2,0,0,0,0|1,0,0]=3 9633 B13R1.9 Cc1ccc(cc1)OCCCCF 7a_100000210336_100000729493 [0,2,0,0,0,0|1,0,0]=3 9634 B13R1.9 Cc1ccc(cc1)OCCCCO 34a_100000210336_100011216708 [0,2,0,0,0,0|1,0,0]=3 9635 B13R1.9 Cc1ccc(cc1)OCCCCO 7a_100000210336_100000210776 [0,2,0,0,0,0|1,0,0]=3 9636 B13R1.9 Cc1ccc(cc1)OCCCN[13CH3] 34a_100000747266_200025704644 [0,2,0,0,0,0|1,0,0]=3 9637 B13R1.9 Cc1ccc(cc1)OCCNCF 34a_100020666663_100015361967 [0,2,0,0,0,0|2,0,0]=4 9638 B13R1.9 Cc1ccc(cc1)OCCOCF 34a_100011219107_100015361967 [0,2,0,0,0,0|2,0,0]=4 9639 B13R1.9 Cc1ccc(cc1)OCCOCF 7a_100011219107_100015361967 [0,2,0,0,0,0|2,0,0]=4 9640 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100000183172_100015361967 [0,2,0,0,0,0|2,0,0]=4 9641 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100015361967_100000183172 [0,2,0,0,0,0|2,0,0]=4 9642 B13R1.9 Cc1ccc(cc1)SCCCC#N 62a_100000186775_100000687738 [0,2,0,0,0,0|0,0,2]=4 9643 B13R1.9 Cc1ccc(cc1)SCCCC#N 62a_100000687738_100000186775 [0,2,0,0,0,0|0,0,2]=4 9644 B13R1.9 Cc1ccc(cc1)SCCCC=O 62a_100000186775_200011292268 [0,2,0,0,0,0|1,0,1]=4 9645 B13R1.9 Cc1ccc(cc1)SCCCC=O 62a_200011292268_100000186775 [0,2,0,0,0,0|1,0,1]=4 9646 B13R1.9 Cc1ccc(cc1)SCCCCF 62a_100000186775_100000729493 [0,2,0,0,0,0|1,0,0]=3 9647 B13R1.9 Cc1ccc(cc1)SCCCCF 62a_100000729493_100000186775 [0,2,0,0,0,0|1,0,0]=3 9648 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000186775_100000210776 [0,2,0,0,0,0|1,0,0]=3 9649 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000210776_100000186775 [0,2,0,0,0,0|1,0,0]=3 9650 B13R1.9 Cc1ccc(cc1)SCCOCF 34a_200000230582_100015361967 [0,2,0,0,0,0|2,0,0]=4 9651 B13R1.9 Cc1ccc(cc1)SCCOCF 7a_200000230582_100015361967 [0,2,0,0,0,0|2,0,0]=4 9652 B13R1.9 Cc1ccc(cn1)CCOCCF 34a_100011815783_100011217306 [0,2,0,0,0,0|2,0,0]=4 9653 B13R1.9 Cc1ccc(cn1)CCOCCO 34a_100011815783_100000211926 [0,2,0,0,0,0|2,0,0]=4 9654 B13R1.9 Cc1ccc(cn1)CNCCCF 2230a_100015189416_100016987292 [0,2,0,0,0,0|2,0,0]=4 9655 B13R1.9 Cc1ccc(cn1)CNCCCF 270004a_100015189416_100000743784 [0,2,0,0,0,0|2,0,0]=4 9656 B13R1.9 Cc1ccc(cn1)CNCCCF 34a_100000740942_100011934791 [0,2,0,0,0,0|2,0,0]=4 9657 B13R1.9 Cc1ccc(cn1)CNCCCF 34a_100015189416_100016987292 [0,2,0,0,0,0|2,0,0]=4 9658 B13R1.9 Cc1ccc(cn1)CNCCCO 270004a_100000182051_100000743784 [0,2,0,0,0,0|2,0,0]=4 9659 B13R1.9 Cc1ccc(cn1)CNCCCO 34a_100000740942_100000230001 [0,2,0,0,0,0|2,0,0]=4 9660 B13R1.9 Cc1ccc(cn1)COCCCBr 34a_100011217188_100016987292 [0,2,0,0,0,0|2,0,0]=4 9661 B13R1.9 Cc1ccc(cn1)COCCCCl 34a_100000230001_100016987292 [0,2,0,0,0,0|2,0,0]=4 9662 B13R1.9 Cc1ccc(cn1)COCCCF 34a_100000759539_100016987292 [0,2,0,0,0,0|2,0,0]=4 9663 B13R1.9 Cc1ccc(cn1)COCCCF 34a_100011248133_100011934791 [0,2,0,0,0,0|2,0,0]=4 9664 B13R1.9 Cc1ccc(cn1)COCCCN 34a_100000182051_100016987292 [0,2,0,0,0,0|1,0,0]=3 9665 B13R1.9 Cc1ccc(cn1)COCCCO 34a_100011248133_100000230001 [0,2,0,0,0,0|2,0,0]=4 9666 B13R1.9 Cc1ccc(cn1)COCCON 34a_100000700252_100016987292 [0,2,0,0,0,0|2,0,0]=4 9667 B13R1.9 Cc1ccc(cn1)CSCCCF 62a_100011934791_100016987292 [0,2,0,0,0,0|2,0,0]=4 9668 B13R1.9 Cc1ccc(cn1)CSCCCF 62a_100016987292_100011934791 [0,2,0,0,0,0|2,0,0]=4 9669 B13R1.9 Cc1ccc(cn1)CSCCCO 62a_100011215043_100016987292 [0,2,0,0,0,0|2,0,0]=4 9670 B13R1.9 Cc1ccc(cn1)CSCCCO 62a_100016987292_100011215043 [0,2,0,0,0,0|2,0,0]=4 9671 B13R1.9 Cc1ccc(cn1)OCCCCF 34a_100000745506_100000729493 [0,2,0,0,0,0|2,0,0]=4 9672 B13R1.9 Cc1ccc(cn1)OCCCCF 7a_100000745506_100000729493 [0,2,0,0,0,0|2,0,0]=4 9673 B13R1.9 Cc1ccc(cn1)OCCCCO 34a_100000745506_100011216708 [0,2,0,0,0,0|2,0,0]=4 9674 B13R1.9 Cc1ccc(cn1)OCCCCO 7a_100000745506_100000210776 [0,2,0,0,0,0|2,0,0]=4 9675 B13R1.9 Cc1ccc(cn1)SCCCCF 62a_100000729493_100000751577 [0,2,0,0,0,0|2,0,0]=4 9676 B13R1.9 Cc1ccc(cn1)SCCCCF 62a_100000751577_100000729493 [0,2,0,0,0,0|2,0,0]=4 9677 B13R1.9 Cc1ccc(cn1)SCCCCO 62a_100000210776_100000751577 [0,2,0,0,0,0|2,0,0]=4 9678 B13R1.9 Cc1ccc(cn1)SCCCCO 62a_100000751577_100000210776 [0,2,0,0,0,0|2,0,0]=4 9679 B13R1.9 Cc1ccc(nc1)CNCCCF 207a_100015189416_100000050478 [0,2,0,0,0,0|2,0,0]=4 9680 B13R1.9 Cc1ccc(nc1)CNCCCF 2230a_100015189416_100000691093 [0,2,0,0,0,0|2,0,0]=4 9681 B13R1.9 Cc1ccc(nc1)CNCCCF 270004a_100015189416_100000050478 [0,2,0,0,0,0|2,0,0]=4 9682 B13R1.9 Cc1ccc(nc1)CNCCCF 34a_100015187455_100011934791 [0,2,0,0,0,0|2,0,0]=4 9683 B13R1.9 Cc1ccc(nc1)CNCCCF 34a_100015189416_100000691093 [0,2,0,0,0,0|2,0,0]=4 9684 B13R1.9 Cc1ccc(nc1)CNCCCO 207a_100000182051_100000050478 [0,2,0,0,0,0|2,0,0]=4 9685 B13R1.9 Cc1ccc(nc1)CNCCCO 270004a_100000182051_100000050478 [0,2,0,0,0,0|2,0,0]=4 9686 B13R1.9 Cc1ccc(nc1)CNCCCO 34a_100015187455_100000230001 [0,2,0,0,0,0|2,0,0]=4 9687 B13R1.9 Cc1ccc(nc1)COCCCBr 34a_100011217188_100000691093 [0,2,0,0,0,0|2,0,0]=4 9688 B13R1.9 Cc1ccc(nc1)COCCCCl 34a_100000230001_100000691093 [0,2,0,0,0,0|2,0,0]=4 9689 B13R1.9 Cc1ccc(nc1)COCCCF 34a_100000759539_100000691093 [0,2,0,0,0,0|2,0,0]=4 9690 B13R1.9 Cc1ccc(nc1)COCCCF 34a_100012001401_100011934791 [0,2,0,0,0,0|2,0,0]=4 9691 B13R1.9 Cc1ccc(nc1)COCCCN 34a_100000182051_100000691093 [0,2,0,0,0,0|1,0,0]=3 9692 B13R1.9 Cc1ccc(nc1)COCCCO 34a_100012001401_100000230001 [0,2,0,0,0,0|2,0,0]=4 9693 B13R1.9 Cc1ccc(nc1)COCCON 34a_100000700252_100000691093 [0,2,0,0,0,0|2,0,0]=4 9694 B13R1.9 Cc1ccc(nc1)CSCCCF 62a_100000691093_100011934791 [0,2,0,0,0,0|2,0,0]=4 9695 B13R1.9 Cc1ccc(nc1)CSCCCF 62a_100011934791_100000691093 [0,2,0,0,0,0|2,0,0]=4 9696 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100000691093_100011215043 [0,2,0,0,0,0|2,0,0]=4 9697 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100011215043_100000691093 [0,2,0,0,0,0|2,0,0]=4 9698 B13R1.9 Cc1ccc(nc1)OCCCCF 34a_100000759353_100000729493 [0,2,0,0,0,0|2,0,0]=4 9699 B13R1.9 Cc1ccc(nc1)OCCCCO 34a_100000759353_100011216708 [0,2,0,0,0,0|2,0,0]=4 9700 B13R1.9 Cc1ccc(nc1)SCCCCF 62a_100000729493_100000754016 [0,2,0,0,0,0|2,0,0]=4 9701 B13R1.9 Cc1ccc(nc1)SCCCCF 62a_100011192072_100000729493 [0,2,0,0,0,0|2,0,0]=4 9702 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100000210776_100000754016 [0,2,0,0,0,0|2,0,0]=4 9703 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100011192072_100000210776 [0,2,0,0,0,0|2,0,0]=4 9704 B13R1.9 Cc1cnc(nc1)COCCCN 34a_100000182051_100000685645 [0,2,0,0,0,0|2,0,0]=4 9705 B13R1.9 ClCCCOCc1ccc(cc1)Br 34a_100000230001_100000189115 [0,2,0,0,0,0|1,0,0]=3 9706 B13R1.9 ClCCCOCc1ccc(cc1)Cl 34a_100000230001_100000694040 [0,2,0,0,0,0|1,0,0]=3 9707 B13R1.9 ClCCCOCc1ccc(cc1)I 34a_100000230001_100000189116 [0,2,0,0,0,0|1,0,0]=3 9708 B13R1.9 ClCCCOCc1ccc(cn1)Br 34a_100000230001_100000702658 [0,2,0,0,0,0|2,0,0]=4 9709 B13R1.9 ClCCCOCc1ccc(cn1)Cl 34a_100000230001_100012066911 [0,2,0,0,0,0|2,0,0]=4 9710 B13R1.9 ClCCCOCc1ccc(nc1)Br 34a_100000230001_100009831999 [0,2,0,0,0,0|2,0,0]=4 9711 B13R1.9 ClCCCOCc1ccc(nc1)Cl 34a_100000230001_100000735431 [0,2,0,0,0,0|2,0,0]=4 9712 B13R1.9 Clc1ccc(cc1)CCOCCBr 34a_100000211926_100011713675 [0,2,0,0,0,0|1,0,0]=3 9713 B13R1.9 Clc1ccc(cc1)COCCCBr 34a_100011217188_100000694040 [0,2,0,0,0,0|1,0,0]=3 9714 B13R1.9 Clc1ccc(cn1)COCCCBr 34a_100011217188_100000735431 [0,2,0,0,0,0|2,0,0]=4 9715 B13R1.9 Clc1ccc(nc1)COCCCBr 34a_100011217188_100012066911 [0,2,0,0,0,0|2,0,0]=4 9716 B13R1.9 FCCCCNc1ccc(cc1)Br 2230a_100000210018_100000729493 [0,2,0,0,0,0|1,0,0]=3 9717 B13R1.9 FCCCCNc1ccc(cc1)Br 34a_100000210018_100000729493 [0,2,0,0,0,0|1,0,0]=3 9718 B13R1.9 FCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000729493 [0,2,0,0,0,0|1,0,0]=3 9719 B13R1.9 FCCCCNc1ccc(cc1)Cl 34a_100000210052_100000729493 [0,2,0,0,0,0|1,0,0]=3 9720 B13R1.9 FCCCCNc1ccc(cc1)F 34a_100000185862_100000729493 [0,2,0,0,0,0|1,0,0]=3 9721 B13R1.9 FCCCCNc1ccc(cc1)I 34a_100000185761_100000729493 [0,2,0,0,0,0|1,0,0]=3 9722 B13R1.9 FCCCCOc1ccc(cc1)Br 34a_100000185759_100000729493 [0,2,0,0,0,0|1,0,0]=3 9723 B13R1.9 FCCCCOc1ccc(cc1)Br 7a_100000185759_100000729493 [0,2,0,0,0,0|1,0,0]=3 9724 B13R1.9 FCCCCOc1ccc(cc1)Cl 34a_100000210216_100000729493 [0,2,0,0,0,0|1,0,0]=3 9725 B13R1.9 FCCCCOc1ccc(cc1)Cl 7a_100000210216_100000729493 [0,2,0,0,0,0|1,0,0]=3 9726 B13R1.9 FCCCCOc1ccc(cc1)F 34a_100000210339_100000729493 [0,2,0,0,0,0|1,0,0]=3 9727 B13R1.9 FCCCCOc1ccc(cc1)I 34a_100000212066_100000729493 [0,2,0,0,0,0|1,0,0]=3 9728 B13R1.9 FCCCCOc1ccc(cc1)I 7a_100000212066_100000729493 [0,2,0,0,0,0|1,0,0]=3 9729 B13R1.9 FCCCCOc1ccc(cn1)Cl 34a_100011215309_100000729493 [0,2,0,0,0,0|2,0,0]=4 9730 B13R1.9 FCCCCOc1ccc(cn1)F 34a_100000742473_100000729493 [0,2,0,0,0,0|2,0,0]=4 9731 B13R1.9 FCCCCOc1ccc(nc1)Br 34a_100000685995_100000729493 [0,2,0,0,0,0|2,0,0]=4 9732 B13R1.9 FCCCCOc1ccc(nc1)Br 7a_100000685995_100000729493 [0,2,0,0,0,0|2,0,0]=4 9733 B13R1.9 FCCCCOc1ccc(nc1)Cl 34a_100000744096_100000729493 [0,2,0,0,0,0|2,0,0]=4 9734 B13R1.9 FCCCCOc1ccc(nc1)Cl 7a_100000744096_100000729493 [0,2,0,0,0,0|2,0,0]=4 9735 B13R1.9 FCCCCOc1ccc(nc1)F 34a_100000688820_100000729493 [0,2,0,0,0,0|2,0,0]=4 9736 B13R1.9 FCCCCOc1ccc(nc1)F 7a_100000688820_100000729493 [0,2,0,0,0,0|2,0,0]=4 9737 B13R1.9 FCCCCOc1ccc(nc1)I 34a_100000687607_100000729493 [0,2,0,0,0,0|2,0,0]=4 9738 B13R1.9 FCCCCOc1ccc(nc1)I 7a_100000687607_100000729493 [0,2,0,0,0,0|2,0,0]=4 9739 B13R1.9 FCCCCSc1ccc(cc1)Br 62a_100000729493_100000752885 [0,2,0,0,0,0|1,0,0]=3 9740 B13R1.9 FCCCCSc1ccc(cc1)Br 62a_100000752885_100000729493 [0,2,0,0,0,0|1,0,0]=3 9741 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000729493_100000755918 [0,2,0,0,0,0|1,0,0]=3 9742 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000755918_100000729493 [0,2,0,0,0,0|1,0,0]=3 9743 B13R1.9 FCCCCSc1ccc(cc1)F 62a_100000211213_100000729493 [0,2,0,0,0,0|1,0,0]=3 9744 B13R1.9 FCCCCSc1ccc(cc1)F 62a_100000729493_100000211213 [0,2,0,0,0,0|1,0,0]=3 9745 B13R1.9 FCCCCSc1ccc(cn1)Br 62a_100000686858_100000729493 [0,2,0,0,0,0|2,0,0]=4 9746 B13R1.9 FCCCCSc1ccc(cn1)Br 62a_100000729493_100000686858 [0,2,0,0,0,0|2,0,0]=4 9747 B13R1.9 FCCCCSc1ccc(cn1)Cl 62a_100000729493_100011356976 [0,2,0,0,0,0|2,0,0]=4 9748 B13R1.9 FCCCCSc1ccc(cn1)Cl 62a_100011356976_100000729493 [0,2,0,0,0,0|2,0,0]=4 9749 B13R1.9 FCCCCSc1ccc(cn1)F 62a_100000729493_100000744514 [0,2,0,0,0,0|2,0,0]=4 9750 B13R1.9 FCCCCSc1ccc(cn1)F 62a_100000744514_100000729493 [0,2,0,0,0,0|2,0,0]=4 9751 B13R1.9 FCCCCSc1ccc(nc1)Br 62a_100000729493_100009814638 [0,2,0,0,0,0|2,0,0]=4 9752 B13R1.9 FCCCCSc1ccc(nc1)Br 62a_100009814638_100000729493 [0,2,0,0,0,0|2,0,0]=4 9753 B13R1.9 FCCCCSc1ccc(nc1)Cl 62a_100000034144_100000729493 [0,2,0,0,0,0|2,0,0]=4 9754 B13R1.9 FCCCCSc1ccc(nc1)Cl 62a_100000729493_100000034144 [0,2,0,0,0,0|2,0,0]=4 9755 B13R1.9 FCCCCSc1ccc(nc1)F 62a_100000042367_100000729493 [0,2,0,0,0,0|2,0,0]=4 9756 B13R1.9 FCCCCSc1ccc(nc1)F 62a_100000729493_100000042367 [0,2,0,0,0,0|2,0,0]=4 9757 B13R1.9 FCCCNCc1ccc(cc1)Br 207a_100015189416_100000186029 [0,2,0,0,0,0|1,0,0]=3 9758 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100000174875_100011934791 [0,2,0,0,0,0|1,0,0]=3 9759 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100015189416_100011217064 [0,2,0,0,0,0|1,0,0]=3 9760 B13R1.9 FCCCNCc1ccc(cc1)Br 270004a_100015189416_100000186029 [0,2,0,0,0,0|1,0,0]=3 9761 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100000174875_100011934791 [0,2,0,0,0,0|1,0,0]=3 9762 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100015189416_100000189115 [0,2,0,0,0,0|1,0,0]=3 9763 B13R1.9 FCCCNCc1ccc(cc1)Cl 207a_100015189416_100000189385 [0,2,0,0,0,0|1,0,0]=3 9764 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011934791 [0,2,0,0,0,0|1,0,0]=3 9765 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100015189416_100000694040 [0,2,0,0,0,0|1,0,0]=3 9766 B13R1.9 FCCCNCc1ccc(cc1)Cl 270004a_100015189416_100000189385 [0,2,0,0,0,0|1,0,0]=3 9767 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100000174871_100011934791 [0,2,0,0,0,0|1,0,0]=3 9768 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100015189416_100000694040 [0,2,0,0,0,0|1,0,0]=3 9769 B13R1.9 FCCCNCc1ccc(cc1)F 207a_100015189416_100000210084 [0,2,0,0,0,0|1,0,0]=3 9770 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100000174882_100011934791 [0,2,0,0,0,0|1,0,0]=3 9771 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100015189416_100000198546 [0,2,0,0,0,0|1,0,0]=3 9772 B13R1.9 FCCCNCc1ccc(cc1)F 270004a_100015189416_100000210084 [0,2,0,0,0,0|1,0,0]=3 9773 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100000174882_100011934791 [0,2,0,0,0,0|1,0,0]=3 9774 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100015189416_100000198546 [0,2,0,0,0,0|1,0,0]=3 9775 B13R1.9 FCCCNCc1ccc(cc1)I 207a_100015189416_100000188517 [0,2,0,0,0,0|1,0,0]=3 9776 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100015189416_100000189116 [0,2,0,0,0,0|1,0,0]=3 9777 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100016989417_100011934791 [0,2,0,0,0,0|1,0,0]=3 9778 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100015189416_100000189116 [0,2,0,0,0,0|1,0,0]=3 9779 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100016989417_100011934791 [0,2,0,0,0,0|1,0,0]=3 9780 B13R1.9 FCCCNCc1ccc(cn1)Br 207a_100015189416_100000754260 [0,2,0,0,0,0|2,0,0]=4 9781 B13R1.9 FCCCNCc1ccc(cn1)Br 2230a_100015189416_100000702658 [0,2,0,0,0,0|2,0,0]=4 9782 B13R1.9 FCCCNCc1ccc(cn1)Br 270004a_100015189416_100000754260 [0,2,0,0,0,0|2,0,0]=4 9783 B13R1.9 FCCCNCc1ccc(cn1)Br 34a_100015188789_100011934791 [0,2,0,0,0,0|2,0,0]=4 9784 B13R1.9 FCCCNCc1ccc(cn1)Br 34a_100015189416_100000702658 [0,2,0,0,0,0|2,0,0]=4 9785 B13R1.9 FCCCNCc1ccc(cn1)Cl 207a_100015189416_100011361569 [0,2,0,0,0,0|2,0,0]=4 9786 B13R1.9 FCCCNCc1ccc(cn1)Cl 2230a_100015189416_100012066911 [0,2,0,0,0,0|2,0,0]=4 9787 B13R1.9 FCCCNCc1ccc(cn1)Cl 270004a_100015189416_100011361569 [0,2,0,0,0,0|2,0,0]=4 9788 B13R1.9 FCCCNCc1ccc(cn1)Cl 34a_100000697193_100011934791 [0,2,0,0,0,0|2,0,0]=4 9789 B13R1.9 FCCCNCc1ccc(cn1)Cl 34a_100015189416_100012066911 [0,2,0,0,0,0|2,0,0]=4 9790 B13R1.9 FCCCNCc1ccc(cn1)F 207a_100015189416_100011934744 [0,2,0,0,0,0|2,0,0]=4 9791 B13R1.9 FCCCNCc1ccc(cn1)F 2230a_100015189416_100000703193 [0,2,0,0,0,0|2,0,0]=4 9792 B13R1.9 FCCCNCc1ccc(cn1)F 270004a_100015189416_100011934744 [0,2,0,0,0,0|2,0,0]=4 9793 B13R1.9 FCCCNCc1ccc(cn1)F 34a_100015189416_100000703193 [0,2,0,0,0,0|2,0,0]=4 9794 B13R1.9 FCCCNCc1ccc(cn1)F 34a_100020620131_100011934791 [0,2,0,0,0,0|2,0,0]=4 9795 B13R1.9 FCCCNCc1ccc(nc1)Br 2230a_100009817727_100011934791 [0,2,0,0,0,0|2,0,0]=4 9796 B13R1.9 FCCCNCc1ccc(nc1)Br 2230a_100015189416_100009831999 [0,2,0,0,0,0|2,0,0]=4 9797 B13R1.9 FCCCNCc1ccc(nc1)Br 34a_100009817727_100011934791 [0,2,0,0,0,0|2,0,0]=4 9798 B13R1.9 FCCCNCc1ccc(nc1)Br 34a_100015189416_100009831999 [0,2,0,0,0,0|2,0,0]=4 9799 B13R1.9 FCCCNCc1ccc(nc1)Cl 2230a_100000735879_100011934791 [0,2,0,0,0,0|2,0,0]=4 9800 B13R1.9 FCCCNCc1ccc(nc1)Cl 2230a_100015189416_100000735431 [0,2,0,0,0,0|2,0,0]=4 9801 B13R1.9 FCCCNCc1ccc(nc1)Cl 34a_100000735879_100011934791 [0,2,0,0,0,0|2,0,0]=4 9802 B13R1.9 FCCCNCc1ccc(nc1)Cl 34a_100015189416_100000735431 [0,2,0,0,0,0|2,0,0]=4 9803 B13R1.9 FCCCNCc1ccc(nc1)F 2230a_100000101913_100011934791 [0,2,0,0,0,0|2,0,0]=4 9804 B13R1.9 FCCCNCc1ccc(nc1)F 2230a_100015189416_100009820150 [0,2,0,0,0,0|2,0,0]=4 9805 B13R1.9 FCCCNCc1ccc(nc1)F 34a_100000101913_100011934791 [0,2,0,0,0,0|2,0,0]=4 9806 B13R1.9 FCCCNCc1ccc(nc1)F 34a_100015189416_100000099788 [0,2,0,0,0,0|2,0,0]=4 9807 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000695286_100011934791 [0,2,0,0,0,0|1,0,0]=3 9808 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000759539_100000189115 [0,2,0,0,0,0|1,0,0]=3 9809 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000211118_100011934791 [0,2,0,0,0,0|1,0,0]=3 9810 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000759539_100000694040 [0,2,0,0,0,0|1,0,0]=3 9811 B13R1.9 FCCCOCc1ccc(cc1)Cl 7a_100000211118_100011934791 [0,2,0,0,0,0|1,0,0]=3 9812 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000210977_100011934791 [0,2,0,0,0,0|1,0,0]=3 9813 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000759539_100000198546 [0,2,0,0,0,0|1,0,0]=3 9814 B13R1.9 FCCCOCc1ccc(cc1)F 7a_100000210977_100011934791 [0,2,0,0,0,0|1,0,0]=3 9815 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000690907_100011934791 [0,2,0,0,0,0|1,0,0]=3 9816 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000759539_100000189116 [0,2,0,0,0,0|1,0,0]=3 9817 B13R1.9 FCCCOCc1ccc(cc1)I 7a_100000690907_100011934791 [0,2,0,0,0,0|1,0,0]=3 9818 B13R1.9 FCCCOCc1ccc(cn1)Br 34a_100000754261_100011934791 [0,2,0,0,0,0|2,0,0]=4 9819 B13R1.9 FCCCOCc1ccc(cn1)Br 34a_100000759539_100000702658 [0,2,0,0,0,0|2,0,0]=4 9820 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000703999_100011934791 [0,2,0,0,0,0|2,0,0]=4 9821 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000759539_100012066911 [0,2,0,0,0,0|2,0,0]=4 9822 B13R1.9 FCCCOCc1ccc(cn1)F 34a_100000759539_100000703193 [0,2,0,0,0,0|2,0,0]=4 9823 B13R1.9 FCCCOCc1ccc(cn1)F 34a_100011999454_100011934791 [0,2,0,0,0,0|2,0,0]=4 9824 B13R1.9 FCCCOCc1ccc(nc1)Br 34a_100000759539_100009831999 [0,2,0,0,0,0|2,0,0]=4 9825 B13R1.9 FCCCOCc1ccc(nc1)Br 34a_100009816760_100011934791 [0,2,0,0,0,0|2,0,0]=4 9826 B13R1.9 FCCCOCc1ccc(nc1)Br 7a_100009816760_100011934791 [0,2,0,0,0,0|2,0,0]=4 9827 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000755211_100011934791 [0,2,0,0,0,0|2,0,0]=4 9828 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000759539_100000735431 [0,2,0,0,0,0|2,0,0]=4 9829 B13R1.9 FCCCOCc1ccc(nc1)Cl 7a_100000755211_100011934791 [0,2,0,0,0,0|2,0,0]=4 9830 B13R1.9 FCCCOCc1ccc(nc1)F 34a_100000079959_100011934791 [0,2,0,0,0,0|2,0,0]=4 9831 B13R1.9 FCCCOCc1ccc(nc1)F 34a_100000759539_100000099788 [0,2,0,0,0,0|2,0,0]=4 9832 B13R1.9 FCCCSCc1ccc(cc1)Br 62a_100000189115_100011934791 [0,2,0,0,0,0|1,0,0]=3 9833 B13R1.9 FCCCSCc1ccc(cc1)Br 62a_100011934791_100000189115 [0,2,0,0,0,0|1,0,0]=3 9834 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100000187161_100011934791 [0,2,0,0,0,0|1,0,0]=3 9835 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100011934791_100000187161 [0,2,0,0,0,0|1,0,0]=3 9836 B13R1.9 FCCCSCc1ccc(cc1)F 62a_100000198546_100011934791 [0,2,0,0,0,0|1,0,0]=3 9837 B13R1.9 FCCCSCc1ccc(cc1)F 62a_100011934791_100000187164 [0,2,0,0,0,0|1,0,0]=3 9838 B13R1.9 FCCCSCc1ccc(cc1)I 62a_100000189116_100011934791 [0,2,0,0,0,0|1,0,0]=3 9839 B13R1.9 FCCCSCc1ccc(cc1)I 62a_100011934791_100000189116 [0,2,0,0,0,0|1,0,0]=3 9840 B13R1.9 FCCCSCc1ccc(cn1)Br 62a_100000702658_100011934791 [0,2,0,0,0,0|2,0,0]=4 9841 B13R1.9 FCCCSCc1ccc(cn1)Br 62a_100011934791_100000702658 [0,2,0,0,0,0|2,0,0]=4 9842 B13R1.9 FCCCSCc1ccc(cn1)Cl 62a_100011934791_100000697101 [0,2,0,0,0,0|2,0,0]=4 9843 B13R1.9 FCCCSCc1ccc(cn1)Cl 62a_100012066911_100011934791 [0,2,0,0,0,0|2,0,0]=4 9844 B13R1.9 FCCCSCc1ccc(cn1)F 62a_100000703193_100011934791 [0,2,0,0,0,0|2,0,0]=4 9845 B13R1.9 FCCCSCc1ccc(cn1)F 62a_100011934791_100000703193 [0,2,0,0,0,0|2,0,0]=4 9846 B13R1.9 FCCCSCc1ccc(nc1)Br 62a_100009831999_100011934791 [0,2,0,0,0,0|2,0,0]=4 9847 B13R1.9 FCCCSCc1ccc(nc1)Br 62a_100011934791_100009831999 [0,2,0,0,0,0|2,0,0]=4 9848 B13R1.9 FCCCSCc1ccc(nc1)Cl 62a_100000735431_100011934791 [0,2,0,0,0,0|2,0,0]=4 9849 B13R1.9 FCCCSCc1ccc(nc1)Cl 62a_100011934791_100000735431 [0,2,0,0,0,0|2,0,0]=4 9850 B13R1.9 FCCCSCc1ccc(nc1)F 62a_100009820150_100011934791 [0,2,0,0,0,0|2,0,0]=4 9851 B13R1.9 FCCCSCc1ccc(nc1)F 62a_100011934791_100000099788 [0,2,0,0,0,0|2,0,0]=4 9852 B13R1.9 FCCNCCc1ccc(cc1)Br 2230a_100000755846_100011217306 [0,2,0,0,0,0|1,0,0]=3 9853 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000724931_100011740612 [0,2,0,0,0,0|1,0,0]=3 9854 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000755846_100011217306 [0,2,0,0,0,0|1,0,0]=3 9855 B13R1.9 FCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011217306 [0,2,0,0,0,0|1,0,0]=3 9856 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000185265_100011217306 [0,2,0,0,0,0|1,0,0]=3 9857 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000724931_100011713675 [0,2,0,0,0,0|1,0,0]=3 9858 B13R1.9 FCCNCCc1ccc(cc1)F 2230a_100000199005_100011217306 [0,2,0,0,0,0|1,0,0]=3 9859 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000199005_100011217306 [0,2,0,0,0,0|1,0,0]=3 9860 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000724931_100011217392 [0,2,0,0,0,0|1,0,0]=3 9861 B13R1.9 FCCOCCc1ccc(cc1)Br 34a_100000766406_100011217306 [0,2,0,0,0,0|1,0,0]=3 9862 B13R1.9 FCCOCCc1ccc(cc1)Br 7a_100000766406_100011217306 [0,2,0,0,0,0|1,0,0]=3 9863 B13R1.9 FCCOCCc1ccc(cc1)Cl 34a_100011219627_100011217306 [0,2,0,0,0,0|1,0,0]=3 9864 B13R1.9 FCCOCCc1ccc(cc1)Cl 7a_100011219627_100011217306 [0,2,0,0,0,0|1,0,0]=3 9865 B13R1.9 FCCOCCc1ccc(cc1)F 34a_100000754732_100011217306 [0,2,0,0,0,0|1,0,0]=3 9866 B13R1.9 FCCOCCc1ccc(cc1)F 7a_100000754732_100011217306 [0,2,0,0,0,0|1,0,0]=3 9867 B13R1.9 FCCOCCc1ccc(cc1)I 34a_100012291149_100011217306 [0,2,0,0,0,0|1,0,0]=3 9868 B13R1.9 FCCOCCc1ccc(cc1)I 7a_100012291149_100011217306 [0,2,0,0,0,0|1,0,0]=3 9869 B13R1.9 FCCOCCc1ccc(cn1)Br 34a_100012357577_100011217306 [0,2,0,0,0,0|2,0,0]=4 9870 B13R1.9 FCCOCCc1ccc(nc1)Cl 34a_100009880866_100011217306 [0,2,0,0,0,0|2,0,0]=4 9871 B13R1.9 FCCOCCc1ccc(nc1)Cl 7a_100009880866_100011217306 [0,2,0,0,0,0|2,0,0]=4 9872 B13R1.9 FCCSCCc1ccc(cc1)Br 62a_100011217306_100011740612 [0,2,0,0,0,0|1,0,0]=3 9873 B13R1.9 FCCSCCc1ccc(cc1)Br 62a_100011740612_100011217306 [0,2,0,0,0,0|1,0,0]=3 9874 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011217306_100011713675 [0,2,0,0,0,0|1,0,0]=3 9875 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011713675_100011217306 [0,2,0,0,0,0|1,0,0]=3 9876 B13R1.9 FCCSCCc1ccc(cc1)F 62a_100011217306_100011217392 [0,2,0,0,0,0|1,0,0]=3 9877 B13R1.9 FCCSCCc1ccc(cc1)F 62a_100011217392_100011217306 [0,2,0,0,0,0|1,0,0]=3 9878 B13R1.9 FCNCCCc1ccc(cc1)Br 34a_100011297623_100015361967 [0,2,0,0,0,0|1,0,0]=3 9879 B13R1.9 FCNCCCc1ccc(cc1)Cl 34a_100000748451_100015361967 [0,2,0,0,0,0|1,0,0]=3 9880 B13R1.9 FCNCCCc1ccc(cc1)F 34a_100025745824_100015361967 [0,2,0,0,0,0|1,0,0]=3 9881 B13R1.9 FCNCCOc1ccc(cc1)Br 34a_100000746992_100015361967 [0,2,0,0,0,0|2,0,0]=4 9882 B13R1.9 FCNCCOc1ccc(cc1)Cl 34a_100000697975_100015361967 [0,2,0,0,0,0|2,0,0]=4 9883 B13R1.9 FCNCCOc1ccc(cc1)F 34a_100000737420_100015361967 [0,2,0,0,0,0|2,0,0]=4 9884 B13R1.9 FCOCCCc1ccc(cc1)Br 34a_100011709247_100015361967 [0,2,0,0,0,0|1,0,0]=3 9885 B13R1.9 FCOCCCc1ccc(cc1)Br 7a_100011709247_100015361967 [0,2,0,0,0,0|1,0,0]=3 9886 B13R1.9 FCOCCCc1ccc(cc1)Cl 34a_100011217485_100015361967 [0,2,0,0,0,0|1,0,0]=3 9887 B13R1.9 FCOCCCc1ccc(cc1)Cl 7a_100011217485_100015361967 [0,2,0,0,0,0|1,0,0]=3 9888 B13R1.9 FCOCCCc1ccc(cc1)F 34a_100000757351_100015361967 [0,2,0,0,0,0|1,0,0]=3 9889 B13R1.9 FCOCCCc1ccc(cc1)F 7a_100000757351_100015361967 [0,2,0,0,0,0|1,0,0]=3 9890 B13R1.9 FCOCCOc1ccc(cc1)Br 34a_100000686261_100015361967 [0,2,0,0,0,0|2,0,0]=4 9891 B13R1.9 FCOCCOc1ccc(cc1)Br 7a_100000686261_100015361967 [0,2,0,0,0,0|2,0,0]=4 9892 B13R1.9 FCOCCOc1ccc(cc1)Cl 34a_100000237962_100015361967 [0,2,0,0,0,0|2,0,0]=4 9893 B13R1.9 FCOCCOc1ccc(cc1)Cl 7a_100000237962_100015361967 [0,2,0,0,0,0|2,0,0]=4 9894 B13R1.9 FCOCCSc1ccc(cc1)Cl 34a_100000230527_100015361967 [0,2,0,0,0,0|2,0,0]=4 9895 B13R1.9 FCOCCSc1ccc(cc1)Cl 7a_100000230527_100015361967 [0,2,0,0,0,0|2,0,0]=4 9896 B13R1.9 FCOCCSc1ccc(cc1)F 34a_200000230679_100015361967 [0,2,0,0,0,0|2,0,0]=4 9897 B13R1.9 FCOCCSc1ccc(cc1)F 7a_200000230679_100015361967 [0,2,0,0,0,0|2,0,0]=4 9898 B13R1.9 FCSCCCc1ccc(cc1)Br 62a_100011713682_100015361967 [0,2,0,0,0,0|1,0,0]=3 9899 B13R1.9 FCSCCCc1ccc(cc1)Br 62a_100015361967_100011713682 [0,2,0,0,0,0|1,0,0]=3 9900 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100000759440_100015361967 [0,2,0,0,0,0|1,0,0]=3 9901 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100015361967_100000759440 [0,2,0,0,0,0|1,0,0]=3 9902 B13R1.9 FCSCCCc1ccc(cc1)F 62a_100015361967_200011713563 [0,2,0,0,0,0|1,0,0]=3 9903 B13R1.9 FCSCCCc1ccc(cc1)F 62a_200011713563_100015361967 [0,2,0,0,0,0|1,0,0]=3 9904 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100000183278_100015361967 [0,2,0,0,0,0|2,0,0]=4 9905 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100015361967_100000183278 [0,2,0,0,0,0|2,0,0]=4 9906 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100000184122_100015361967 [0,2,0,0,0,0|2,0,0]=4 9907 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100015361967_100000184122 [0,2,0,0,0,0|2,0,0]=4 9908 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100000184936_100015361967 [0,2,0,0,0,0|2,0,0]=4 9909 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100015361967_100000184936 [0,2,0,0,0,0|2,0,0]=4 9910 B13R1.9 Fc1ccc(cc1)CCOCCBr 34a_100000211926_100011217392 [0,2,0,0,0,0|1,0,0]=3 9911 B13R1.9 Fc1ccc(cc1)COCCCBr 34a_100011217188_100000198546 [0,2,0,0,0,0|1,0,0]=3 9912 B13R1.9 Fc1ccc(cc1)COCCCCl 34a_100000230001_100000198546 [0,2,0,0,0,0|1,0,0]=3 9913 B13R1.9 Fc1ccc(cn1)COCCCBr 34a_100011217188_100000099788 [0,2,0,0,0,0|2,0,0]=4 9914 B13R1.9 Fc1ccc(cn1)COCCCCl 34a_100000230001_100000099788 [0,2,0,0,0,0|2,0,0]=4 9915 B13R1.9 Fc1ccc(nc1)COCCCBr 34a_100011217188_100000703193 [0,2,0,0,0,0|2,0,0]=4 9916 B13R1.9 Fc1ccc(nc1)COCCCCl 34a_100000230001_100000703193 [0,2,0,0,0,0|2,0,0]=4 9917 B13R1.9 N#CCCCNc1ccc(cc1)Br 2230a_100000210018_100000687738 [0,2,0,0,0,0|0,0,2]=4 9918 B13R1.9 N#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000687738 [0,2,0,0,0,0|0,0,2]=4 9919 B13R1.9 N#CCCCOc1ccc(cc1)Br 7a_100000185759_100000687738 [0,2,0,0,0,0|0,0,2]=4 9920 B13R1.9 N#CCCCOc1ccc(cc1)Cl 7a_100000210216_100000687738 [0,2,0,0,0,0|0,0,2]=4 9921 B13R1.9 N#CCCCOc1ccc(cc1)I 7a_100000212066_100000687738 [0,2,0,0,0,0|0,0,2]=4 9922 B13R1.9 N#CCCCSc1ccc(cc1)Br 62a_100000687738_100000752885 [0,2,0,0,0,0|0,0,2]=4 9923 B13R1.9 N#CCCCSc1ccc(cc1)Br 62a_100000752885_100000687738 [0,2,0,0,0,0|0,0,2]=4 9924 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000687738_100000755918 [0,2,0,0,0,0|0,0,2]=4 9925 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000755918_100000687738 [0,2,0,0,0,0|0,0,2]=4 9926 B13R1.9 N#CCCCSc1ccc(cc1)F 62a_100000211213_100000687738 [0,2,0,0,0,0|0,0,2]=4 9927 B13R1.9 N#CCCCSc1ccc(cc1)F 62a_100000687738_100000211213 [0,2,0,0,0,0|0,0,2]=4 9928 B13R1.9 N#CCCCSc1ccc(cc1)N 62a_100000185761_100000687738 [0,2,0,0,0,0|0,0,2]=4 9929 B13R1.9 N#CCCCSc1ccc(cc1)N 62a_100000687738_100000185761 [0,2,0,0,0,0|0,0,2]=4 9930 B13R1.9 N#CCCCSc1ccc(cc1)O 62a_100000687738_100000185759 [0,2,0,0,0,0|0,0,2]=4 9931 B13R1.9 N#CCCNCc1ccc(cc1)Br 2230a_100000174875_100011215226 [0,2,0,0,0,0|0,0,2]=4 9932 B13R1.9 N#CCCNCc1ccc(cc1)Br 270004a_100000720768_100000186029 [0,2,0,0,0,0|0,0,2]=4 9933 B13R1.9 N#CCCNCc1ccc(cc1)Cl 2230a_100000174871_100011215226 [0,2,0,0,0,0|0,0,2]=4 9934 B13R1.9 N#CCCNCc1ccc(cc1)Cl 270004a_100000720768_100000189385 [0,2,0,0,0,0|0,0,2]=4 9935 B13R1.9 N#CCCNCc1ccc(cc1)F 2230a_100000174882_100011215226 [0,2,0,0,0,0|0,0,2]=4 9936 B13R1.9 N#CCCNCc1ccc(cc1)F 270004a_100000720768_100000210084 [0,2,0,0,0,0|0,0,2]=4 9937 B13R1.9 N#CCCNCc1ccc(cc1)I 2230a_100016989417_100011215226 [0,2,0,0,0,0|0,0,2]=4 9938 B13R1.9 N#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000184422 [0,2,0,0,0,0|0,0,2]=4 9939 B13R1.9 N#CCCOCc1ccc(cc1)F 7a_100000210977_100000184422 [0,2,0,0,0,0|0,0,2]=4 9940 B13R1.9 N#CCCOCc1ccc(cc1)I 7a_100000690907_100000184422 [0,2,0,0,0,0|0,0,2]=4 9941 B13R1.9 N#CCCSCc1ccc(cc1)Br 62a_100000189115_100011215226 [0,2,0,0,0,0|0,0,2]=4 9942 B13R1.9 N#CCCSCc1ccc(cc1)Br 62a_100011215226_100000189115 [0,2,0,0,0,0|0,0,2]=4 9943 B13R1.9 N#CCCSCc1ccc(cc1)Cl 62a_100000187161_100011215226 [0,2,0,0,0,0|0,0,2]=4 9944 B13R1.9 N#CCCSCc1ccc(cc1)Cl 62a_100011215226_100000187161 [0,2,0,0,0,0|0,0,2]=4 9945 B13R1.9 N#CCCSCc1ccc(cc1)F 62a_100000198546_100011215226 [0,2,0,0,0,0|0,0,2]=4 9946 B13R1.9 N#CCCSCc1ccc(cc1)F 62a_100011215226_100000187164 [0,2,0,0,0,0|0,0,2]=4 9947 B13R1.9 N#CCCSCc1ccc(cc1)I 62a_100000189116_100011215226 [0,2,0,0,0,0|0,0,2]=4 9948 B13R1.9 N#CCCSCc1ccc(cc1)I 62a_100011215226_100000189116 [0,2,0,0,0,0|0,0,2]=4 9949 B13R1.9 N#CCNCCc1ccc(cc1)Br 2230a_100000755846_100011215382 [0,2,0,0,0,0|0,0,2]=4 9950 B13R1.9 N#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215382 [0,2,0,0,0,0|0,0,2]=4 9951 B13R1.9 N#CCNCCc1ccc(cc1)F 2230a_100000199005_100011215382 [0,2,0,0,0,0|0,0,2]=4 9952 B13R1.9 N#CCOCCc1ccc(cc1)Br 7a_100000766406_100011215382 [0,2,0,0,0,0|0,0,2]=4 9953 B13R1.9 N#CCOCCc1ccc(cc1)Cl 7a_100011219627_100011215382 [0,2,0,0,0,0|0,0,2]=4 9954 B13R1.9 N#CCOCCc1ccc(cc1)F 7a_100000754732_100011215382 [0,2,0,0,0,0|0,0,2]=4 9955 B13R1.9 N#CCOCCc1ccc(cc1)I 7a_100012291149_100011215382 [0,2,0,0,0,0|0,0,2]=4 9956 B13R1.9 N#CCSCCc1ccc(cc1)Br 62a_100011215382_100011740612 [0,2,0,0,0,0|0,0,2]=4 9957 B13R1.9 N#CCSCCc1ccc(cc1)Br 62a_100011740612_100011215382 [0,2,0,0,0,0|0,0,2]=4 9958 B13R1.9 N#CCSCCc1ccc(cc1)Cl 62a_100011215382_100011713675 [0,2,0,0,0,0|0,0,2]=4 9959 B13R1.9 N#CCSCCc1ccc(cc1)Cl 62a_100011713675_100011215382 [0,2,0,0,0,0|0,0,2]=4 9960 B13R1.9 N#CCSCCc1ccc(cc1)F 62a_100011215382_100011217392 [0,2,0,0,0,0|0,0,2]=4 9961 B13R1.9 N#CCSCCc1ccc(cc1)F 62a_100011217392_100011215382 [0,2,0,0,0,0|0,0,2]=4 9962 B13R1.9 N#CCSCCc1ccc(cc1)O 62a_100009816426_100011215382 [0,2,0,0,0,0|0,0,2]=4 9963 B13R1.9 N#CCSCCc1ccc(cc1)O 62a_100011215382_100009816426 [0,2,0,0,0,0|0,0,2]=4 9964 B13R1.9 NCCCOCc1ccc(cc1)Br 34a_100000182051_100000189115 [0,2,0,0,0,0|0,0,0]=2 9965 B13R1.9 NCCCOCc1ccc(cc1)Cl 34a_100000182051_100000694040 [0,2,0,0,0,0|0,0,0]=2 9966 B13R1.9 NCCCOCc1ccc(cc1)F 34a_100000182051_100000198546 [0,2,0,0,0,0|0,0,0]=2 9967 B13R1.9 NCCCOCc1ccc(cc1)I 34a_100000182051_100000189116 [0,2,0,0,0,0|0,0,0]=2 9968 B13R1.9 NCCCOCc1ccc(cn1)Br 34a_100000182051_100000702658 [0,2,0,0,0,0|1,0,0]=3 9969 B13R1.9 NCCCOCc1ccc(cn1)Cl 34a_100000182051_100012066911 [0,2,0,0,0,0|1,0,0]=3 9970 B13R1.9 NCCCOCc1ccc(cn1)F 34a_100000182051_100000703193 [0,2,0,0,0,0|1,0,0]=3 9971 B13R1.9 NCCCOCc1ccc(nc1)Br 34a_100000182051_100009831999 [0,2,0,0,0,0|1,0,0]=3 9972 B13R1.9 NCCCOCc1ccc(nc1)Cl 34a_100000182051_100000735431 [0,2,0,0,0,0|1,0,0]=3 9973 B13R1.9 NCCCOCc1ccc(nc1)F 34a_100000182051_100000099788 [0,2,0,0,0,0|1,0,0]=3 9974 B13R1.9 NCCCOCc1ccc(nn1)Cl 34a_100000182051_100016992710 [0,2,0,0,0,0|2,0,0]=4 9975 B13R1.9 NCCCOCc1ncc(cn1)Br 34a_100000182051_100010064664 [0,2,0,0,0,0|2,0,0]=4 9976 B13R1.9 NCCOCCc1ccc(cc1)Br 34a_100000210304_100011740612 [0,2,0,0,0,0|0,0,0]=2 9977 B13R1.9 NCCOCCc1ccc(cc1)Cl 34a_100000210304_100011713675 [0,2,0,0,0,0|0,0,0]=2 9978 B13R1.9 NCCOCCc1ccc(cc1)F 34a_100000210304_100011217392 [0,2,0,0,0,0|0,0,0]=2 9979 B13R1.9 NOCCOCc1ccc(cc1)Br 34a_100000700252_100000189115 [0,2,0,0,0,0|1,0,0]=3 9980 B13R1.9 NOCCOCc1ccc(cc1)Cl 34a_100000700252_100000694040 [0,2,0,0,0,0|1,0,0]=3 9981 B13R1.9 NOCCOCc1ccc(cc1)F 34a_100000700252_100000198546 [0,2,0,0,0,0|1,0,0]=3 9982 B13R1.9 NOCCOCc1ccc(cc1)I 34a_100000700252_100000189116 [0,2,0,0,0,0|1,0,0]=3 9983 B13R1.9 NOCCOCc1ccc(cn1)Br 34a_100000700252_100000702658 [0,2,0,0,0,0|2,0,0]=4 9984 B13R1.9 NOCCOCc1ccc(cn1)Cl 34a_100000700252_100012066911 [0,2,0,0,0,0|2,0,0]=4 9985 B13R1.9 NOCCOCc1ccc(cn1)F 34a_100000700252_100000703193 [0,2,0,0,0,0|2,0,0]=4 9986 B13R1.9 NOCCOCc1ccc(nc1)Br 34a_100000700252_100009831999 [0,2,0,0,0,0|2,0,0]=4 9987 B13R1.9 NOCCOCc1ccc(nc1)Cl 34a_100000700252_100000735431 [0,2,0,0,0,0|2,0,0]=4 9988 B13R1.9 NOCCOCc1ccc(nc1)F 34a_100000700252_100000099788 [0,2,0,0,0,0|2,0,0]=4 9989 B13R1.9 Nc1ccc(cc1)CCOCC=O 34a_100011204434_200009817547 [0,2,0,0,0,0|1,0,1]=4 9990 B13R1.9 Nc1ccc(cc1)CCOCCF 34a_100011204434_100011217306 [0,2,0,0,0,0|1,0,0]=3 9991 B13R1.9 Nc1ccc(cc1)CCOCCO 34a_100011204434_100000211926 [0,2,0,0,0,0|1,0,0]=3 9992 B13R1.9 Nc1ccc(cc1)COCCCF 34a_100011215238_100011934791 [0,2,0,0,0,0|1,0,0]=3 9993 B13R1.9 Nc1ccc(cc1)COCCCO 34a_100011215238_100000230001 [0,2,0,0,0,0|1,0,0]=3 9994 B13R1.9 Nc1ccc(cc1)OCCCCF 34a_100000185829_100000729493 [0,2,0,0,0,0|1,0,0]=3 9995 B13R1.9 Nc1ccc(cc1)OCCCCO 34a_100000185829_100011216708 [0,2,0,0,0,0|1,0,0]=3 9996 B13R1.9 Nc1ccc(cc1)OCCOCF 34a_100000754363_100015361967 [0,2,0,0,0,0|2,0,0]=4 9997 B13R1.9 Nc1ccc(cc1)SCCCC=O 62a_100000185761_200011292268 [0,2,0,0,0,0|1,0,1]=4 9998 B13R1.9 Nc1ccc(cc1)SCCCC=O 62a_200011292268_100000185761 [0,2,0,0,0,0|1,0,1]=4 9999 B13R1.9 Nc1ccc(cc1)SCCCCF 62a_100000185761_100000729493 [0,2,0,0,0,0|1,0,0]=3 10000 B13R1.9 Nc1ccc(cc1)SCCCCF 62a_100000729493_100000185761 [0,2,0,0,0,0|1,0,0]=3 10001 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000185761_100000210776 [0,2,0,0,0,0|1,0,0]=3 10002 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000210776_100000185761 [0,2,0,0,0,0|1,0,0]=3 10003 B13R1.9 Nc1ccc(cn1)COCCCF 34a_100000704267_100011934791 [0,2,0,0,0,0|2,0,0]=4 10004 B13R1.9 Nc1ccc(cn1)COCCCO 34a_100000704267_100000230001 [0,2,0,0,0,0|2,0,0]=4 10005 B13R1.9 Nc1ccc(cn1)OCCCCF 34a_100015188713_100000729493 [0,2,0,0,0,0|2,0,0]=4 10006 B13R1.9 Nc1ccc(cn1)OCCCCF 7a_100015188713_100000729493 [0,2,0,0,0,0|2,0,0]=4 10007 B13R1.9 Nc1ccc(cn1)OCCCCO 34a_100015188713_100011216708 [0,2,0,0,0,0|2,0,0]=4 10008 B13R1.9 Nc1ccc(cn1)OCCCCO 7a_100015188713_100000210776 [0,2,0,0,0,0|2,0,0]=4 10009 B13R1.9 Nc1ccc(cn1)SCCCCF 62a_100000187370_100000729493 [0,2,0,0,0,0|2,0,0]=4 10010 B13R1.9 Nc1ccc(cn1)SCCCCF 62a_100000729493_100000187370 [0,2,0,0,0,0|2,0,0]=4 10011 B13R1.9 Nc1ccc(cn1)SCCCCO 62a_100000187370_100000210776 [0,2,0,0,0,0|2,0,0]=4 10012 B13R1.9 Nc1ccc(cn1)SCCCCO 62a_100000210776_100000187370 [0,2,0,0,0,0|2,0,0]=4 10013 B13R1.9 Nc1ccc(nc1)COCCCF 34a_100011998161_100011934791 [0,2,0,0,0,0|2,0,0]=4 10014 B13R1.9 Nc1ccc(nc1)COCCCO 34a_100011998161_100000230001 [0,2,0,0,0,0|2,0,0]=4 10015 B13R1.9 Nc1ccc(nc1)OCCCCF 34a_100000729260_100000729493 [0,2,0,0,0,0|2,0,0]=4 10016 B13R1.9 Nc1ccc(nc1)OCCCCO 34a_100000729260_100011216708 [0,2,0,0,0,0|2,0,0]=4 10017 B13R1.9 Nc1ccc(nc1)SCCCCF 62a_100000729493_100000737798 [0,2,0,0,0,0|2,0,0]=4 10018 B13R1.9 Nc1ccc(nc1)SCCCCF 62a_100000737798_100000729493 [0,2,0,0,0,0|2,0,0]=4 10019 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000210776_100000737798 [0,2,0,0,0,0|2,0,0]=4 10020 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000737798_100000210776 [0,2,0,0,0,0|2,0,0]=4 10021 B13R1.9 O=CCCCNc1ccc(cc1)Br 2230a_100000210018_200011292268 [0,2,0,0,0,0|1,0,1]=4 10022 B13R1.9 O=CCCCNc1ccc(cc1)Cl 2230a_100000210052_200011292268 [0,2,0,0,0,0|1,0,1]=4 10023 B13R1.9 O=CCCCOc1ccc(cc1)Br 7a_100000185759_200011292268 [0,2,0,0,0,0|1,0,1]=4 10024 B13R1.9 O=CCCCOc1ccc(cc1)Cl 7a_100000210216_200011292268 [0,2,0,0,0,0|1,0,1]=4 10025 B13R1.9 O=CCCCOc1ccc(cc1)I 7a_100000212066_200011292268 [0,2,0,0,0,0|1,0,1]=4 10026 B13R1.9 O=CCCCSc1ccc(cc1)Br 62a_100000752885_200011292268 [0,2,0,0,0,0|1,0,1]=4 10027 B13R1.9 O=CCCCSc1ccc(cc1)Br 62a_200011292268_100000752885 [0,2,0,0,0,0|1,0,1]=4 10028 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_100000755918_200011292268 [0,2,0,0,0,0|1,0,1]=4 10029 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_200011292268_100000755918 [0,2,0,0,0,0|1,0,1]=4 10030 B13R1.9 O=CCCCSc1ccc(cc1)F 62a_100000211213_200011292268 [0,2,0,0,0,0|1,0,1]=4 10031 B13R1.9 O=CCCCSc1ccc(cc1)F 62a_200011292268_100000211213 [0,2,0,0,0,0|1,0,1]=4 10032 B13R1.9 O=CCCCSc1ccc(cc1)O 62a_200011292268_100000185759 [0,2,0,0,0,0|1,0,1]=4 10033 B13R1.9 O=CCNCCc1ccc(cc1)Br 2230a_100000755846_200015260668 [0,2,0,0,0,0|1,0,1]=4 10034 B13R1.9 O=CCNCCc1ccc(cc1)Br 34a_100000755846_200009817547 [0,2,0,0,0,0|1,0,1]=4 10035 B13R1.9 O=CCNCCc1ccc(cc1)Cl 2230a_100000185265_200015260668 [0,2,0,0,0,0|1,0,1]=4 10036 B13R1.9 O=CCNCCc1ccc(cc1)Cl 34a_100000185265_200009817547 [0,2,0,0,0,0|1,0,1]=4 10037 B13R1.9 O=CCNCCc1ccc(cc1)F 2230a_100000199005_200015260668 [0,2,0,0,0,0|1,0,1]=4 10038 B13R1.9 O=CCNCCc1ccc(cc1)F 34a_100000199005_200009817547 [0,2,0,0,0,0|1,0,1]=4 10039 B13R1.9 O=CCNCCc1ccc(cc1)O 34a_100000743037_200009817547 [0,2,0,0,0,0|1,0,1]=4 10040 B13R1.9 O=CCOCCc1ccc(cc1)Br 34a_100000766406_200009817547 [0,2,0,0,0,0|1,0,1]=4 10041 B13R1.9 O=CCOCCc1ccc(cc1)Br 7a_100000766406_200015260668 [0,2,0,0,0,0|1,0,1]=4 10042 B13R1.9 O=CCOCCc1ccc(cc1)Cl 34a_100011219627_200009817547 [0,2,0,0,0,0|1,0,1]=4 10043 B13R1.9 O=CCOCCc1ccc(cc1)Cl 7a_100011219627_200015260668 [0,2,0,0,0,0|1,0,1]=4 10044 B13R1.9 O=CCOCCc1ccc(cc1)F 34a_100000754732_200009817547 [0,2,0,0,0,0|1,0,1]=4 10045 B13R1.9 O=CCOCCc1ccc(cc1)F 7a_100000754732_200015260668 [0,2,0,0,0,0|1,0,1]=4 10046 B13R1.9 O=CCOCCc1ccc(cc1)I 34a_100012291149_200009817547 [0,2,0,0,0,0|1,0,1]=4 10047 B13R1.9 O=CCOCCc1ccc(cc1)I 7a_100012291149_200015260668 [0,2,0,0,0,0|1,0,1]=4 10048 B13R1.9 O=CCSCCc1ccc(cc1)Br 62a_100011740612_200015260668 [0,2,0,0,0,0|1,0,1]=4 10049 B13R1.9 O=CCSCCc1ccc(cc1)Br 62a_200015260668_100011740612 [0,2,0,0,0,0|1,0,1]=4 10050 B13R1.9 O=CCSCCc1ccc(cc1)Cl 62a_100011713675_200015260668 [0,2,0,0,0,0|1,0,1]=4 10051 B13R1.9 O=CCSCCc1ccc(cc1)Cl 62a_200015260668_100011713675 [0,2,0,0,0,0|1,0,1]=4 10052 B13R1.9 O=CCSCCc1ccc(cc1)F 62a_100011217392_200015260668 [0,2,0,0,0,0|1,0,1]=4 10053 B13R1.9 O=CCSCCc1ccc(cc1)F 62a_200015260668_100011217392 [0,2,0,0,0,0|1,0,1]=4 10054 B13R1.9 O=CCSCCc1ccc(cc1)O 62a_100009816426_200015260668 [0,2,0,0,0,0|1,0,1]=4 10055 B13R1.9 O=CCSCCc1ccc(cc1)O 62a_200015260668_100009816426 [0,2,0,0,0,0|1,0,1]=4 10056 B13R1.9 O=c1ccc(c[nH]1)COCCCF 34a_100011999846_100011934791 [0,2,0,0,0,0|2,0,0]=4 10057 B13R1.9 O=c1ccc(c[nH]1)COCCCO 34a_100011999846_100000230001 [0,2,0,0,0,0|2,0,0]=4 10058 B13R1.9 O=c1ccc(c[nH]1)OCCCCF 34a_100000075641_100000729493 [0,2,0,0,0,0|2,0,0]=4 10059 B13R1.9 O=c1ccc(c[nH]1)OCCCCO 34a_100000075641_100011216708 [0,2,0,0,0,0|2,0,0]=4 10060 B13R1.9 O=c1ccc(c[nH]1)SCCCCF 62a_100000212171_100000729493 [0,2,0,0,0,0|2,0,0]=4 10061 B13R1.9 O=c1ccc(c[nH]1)SCCCCF 62a_100000729493_100000212171 [0,2,0,0,0,0|2,0,0]=4 10062 B13R1.9 O=c1ccc(c[nH]1)SCCCCO 62a_100000210776_100000212171 [0,2,0,0,0,0|2,0,0]=4 10063 B13R1.9 O=c1ccc(c[nH]1)SCCCCO 62a_100000212171_100000210776 [0,2,0,0,0,0|2,0,0]=4 10064 B13R1.9 OCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210776 [0,2,0,0,0,0|1,0,0]=3 10065 B13R1.9 OCCCCNc1ccc(cc1)Br 34a_100000210018_100011216708 [0,2,0,0,0,0|1,0,0]=3 10066 B13R1.9 OCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210776 [0,2,0,0,0,0|1,0,0]=3 10067 B13R1.9 OCCCCNc1ccc(cc1)Cl 34a_100000210052_100011216708 [0,2,0,0,0,0|1,0,0]=3 10068 B13R1.9 OCCCCNc1ccc(cc1)F 34a_100000185862_100011216708 [0,2,0,0,0,0|1,0,0]=3 10069 B13R1.9 OCCCCNc1ccc(cc1)I 34a_100000185761_100011216708 [0,2,0,0,0,0|1,0,0]=3 10070 B13R1.9 OCCCCNc1ccc(cc1)O 34a_100000185829_100011216708 [0,2,0,0,0,0|1,0,0]=3 10071 B13R1.9 OCCCCNc1ccc(cn1)Br 27a_100000750430_100000686858 [0,2,0,0,0,0|2,0,0]=4 10072 B13R1.9 OCCCCOc1ccc(cc1)Br 34a_100000185759_100011216708 [0,2,0,0,0,0|1,0,0]=3 10073 B13R1.9 OCCCCOc1ccc(cc1)Br 7a_100000185759_100000210776 [0,2,0,0,0,0|1,0,0]=3 10074 B13R1.9 OCCCCOc1ccc(cc1)Cl 34a_100000210216_100011216708 [0,2,0,0,0,0|1,0,0]=3 10075 B13R1.9 OCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210776 [0,2,0,0,0,0|1,0,0]=3 10076 B13R1.9 OCCCCOc1ccc(cc1)F 34a_100000210339_100011216708 [0,2,0,0,0,0|1,0,0]=3 10077 B13R1.9 OCCCCOc1ccc(cc1)I 34a_100000212066_100011216708 [0,2,0,0,0,0|1,0,0]=3 10078 B13R1.9 OCCCCOc1ccc(cc1)I 7a_100000212066_100000210776 [0,2,0,0,0,0|1,0,0]=3 10079 B13R1.9 OCCCCOc1ccc(cn1)Cl 34a_100011215309_100011216708 [0,2,0,0,0,0|2,0,0]=4 10080 B13R1.9 OCCCCOc1ccc(cn1)F 34a_100000742473_100011216708 [0,2,0,0,0,0|2,0,0]=4 10081 B13R1.9 OCCCCOc1ccc(nc1)Br 34a_100000685995_100011216708 [0,2,0,0,0,0|2,0,0]=4 10082 B13R1.9 OCCCCOc1ccc(nc1)Br 7a_100000685995_100000210776 [0,2,0,0,0,0|2,0,0]=4 10083 B13R1.9 OCCCCOc1ccc(nc1)Cl 34a_100000744096_100011216708 [0,2,0,0,0,0|2,0,0]=4 10084 B13R1.9 OCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210776 [0,2,0,0,0,0|2,0,0]=4 10085 B13R1.9 OCCCCOc1ccc(nc1)F 34a_100000688820_100011216708 [0,2,0,0,0,0|2,0,0]=4 10086 B13R1.9 OCCCCOc1ccc(nc1)F 7a_100000688820_100000210776 [0,2,0,0,0,0|2,0,0]=4 10087 B13R1.9 OCCCCOc1ccc(nc1)I 34a_100000687607_100011216708 [0,2,0,0,0,0|2,0,0]=4 10088 B13R1.9 OCCCCOc1ccc(nc1)I 7a_100000687607_100000210776 [0,2,0,0,0,0|2,0,0]=4 10089 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000210776_100000752885 [0,2,0,0,0,0|1,0,0]=3 10090 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000752885_100000210776 [0,2,0,0,0,0|1,0,0]=3 10091 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000210776_100000755918 [0,2,0,0,0,0|1,0,0]=3 10092 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210776 [0,2,0,0,0,0|1,0,0]=3 10093 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000210776_100000211213 [0,2,0,0,0,0|1,0,0]=3 10094 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000211213_100000210776 [0,2,0,0,0,0|1,0,0]=3 10095 B13R1.9 OCCCCSc1ccc(cc1)O 62a_100000210776_100000185759 [0,2,0,0,0,0|1,0,0]=3 10096 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000210776_100000686858 [0,2,0,0,0,0|2,0,0]=4 10097 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000686858_100000210776 [0,2,0,0,0,0|2,0,0]=4 10098 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100000210776_100011356976 [0,2,0,0,0,0|2,0,0]=4 10099 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210776 [0,2,0,0,0,0|2,0,0]=4 10100 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000210776_100000744514 [0,2,0,0,0,0|2,0,0]=4 10101 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000744514_100000210776 [0,2,0,0,0,0|2,0,0]=4 10102 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000210776_100000744096 [0,2,0,0,0,0|2,0,0]=4 10103 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000685995_100000210776 [0,2,0,0,0,0|2,0,0]=4 10104 B13R1.9 OCCCCSc1ccc(nc1)Br 62a_100000210776_100009814638 [0,2,0,0,0,0|2,0,0]=4 10105 B13R1.9 OCCCCSc1ccc(nc1)Br 62a_100009814638_100000210776 [0,2,0,0,0,0|2,0,0]=4 10106 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210776 [0,2,0,0,0,0|2,0,0]=4 10107 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000210776_100000034144 [0,2,0,0,0,0|2,0,0]=4 10108 B13R1.9 OCCCCSc1ccc(nc1)F 62a_100000042367_100000210776 [0,2,0,0,0,0|2,0,0]=4 10109 B13R1.9 OCCCCSc1ccc(nc1)F 62a_100000210776_100000042367 [0,2,0,0,0,0|2,0,0]=4 10110 B13R1.9 OCCCNCc1ccc(cc1)Br 207a_100000182051_100000186029 [0,2,0,0,0,0|1,0,0]=3 10111 B13R1.9 OCCCNCc1ccc(cc1)Br 2230a_100000174875_100000230001 [0,2,0,0,0,0|1,0,0]=3 10112 B13R1.9 OCCCNCc1ccc(cc1)Br 270004a_100000182051_100000186029 [0,2,0,0,0,0|1,0,0]=3 10113 B13R1.9 OCCCNCc1ccc(cc1)Br 34a_100000174875_100000230001 [0,2,0,0,0,0|1,0,0]=3 10114 B13R1.9 OCCCNCc1ccc(cc1)Cl 207a_100000182051_100000189385 [0,2,0,0,0,0|1,0,0]=3 10115 B13R1.9 OCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000230001 [0,2,0,0,0,0|1,0,0]=3 10116 B13R1.9 OCCCNCc1ccc(cc1)Cl 270004a_100000182051_100000189385 [0,2,0,0,0,0|1,0,0]=3 10117 B13R1.9 OCCCNCc1ccc(cc1)Cl 34a_100000174871_100000230001 [0,2,0,0,0,0|1,0,0]=3 10118 B13R1.9 OCCCNCc1ccc(cc1)F 207a_100000182051_100000210084 [0,2,0,0,0,0|1,0,0]=3 10119 B13R1.9 OCCCNCc1ccc(cc1)F 2230a_100000174882_100000230001 [0,2,0,0,0,0|1,0,0]=3 10120 B13R1.9 OCCCNCc1ccc(cc1)F 270004a_100000182051_100000210084 [0,2,0,0,0,0|1,0,0]=3 10121 B13R1.9 OCCCNCc1ccc(cc1)F 34a_100000174882_100000230001 [0,2,0,0,0,0|1,0,0]=3 10122 B13R1.9 OCCCNCc1ccc(cc1)I 207a_100000182051_100000188517 [0,2,0,0,0,0|1,0,0]=3 10123 B13R1.9 OCCCNCc1ccc(cc1)I 2230a_100016989417_100000230001 [0,2,0,0,0,0|1,0,0]=3 10124 B13R1.9 OCCCNCc1ccc(cc1)I 34a_100016989417_100000230001 [0,2,0,0,0,0|1,0,0]=3 10125 B13R1.9 OCCCNCc1ccc(cc1)O 34a_100000185549_100000230001 [0,2,0,0,0,0|1,0,0]=3 10126 B13R1.9 OCCCNCc1ccc(cn1)Br 207a_100000182051_100000754260 [0,2,0,0,0,0|2,0,0]=4 10127 B13R1.9 OCCCNCc1ccc(cn1)Br 270004a_100000182051_100000754260 [0,2,0,0,0,0|2,0,0]=4 10128 B13R1.9 OCCCNCc1ccc(cn1)Br 34a_100015188789_100000230001 [0,2,0,0,0,0|2,0,0]=4 10129 B13R1.9 OCCCNCc1ccc(cn1)Cl 207a_100000182051_100011361569 [0,2,0,0,0,0|2,0,0]=4 10130 B13R1.9 OCCCNCc1ccc(cn1)Cl 270004a_100000182051_100011361569 [0,2,0,0,0,0|2,0,0]=4 10131 B13R1.9 OCCCNCc1ccc(cn1)Cl 34a_100000697193_100000230001 [0,2,0,0,0,0|2,0,0]=4 10132 B13R1.9 OCCCNCc1ccc(cn1)F 207a_100000182051_100011934744 [0,2,0,0,0,0|2,0,0]=4 10133 B13R1.9 OCCCNCc1ccc(cn1)F 270004a_100000182051_100011934744 [0,2,0,0,0,0|2,0,0]=4 10134 B13R1.9 OCCCNCc1ccc(cn1)F 34a_100020620131_100000230001 [0,2,0,0,0,0|2,0,0]=4 10135 B13R1.9 OCCCNCc1ccc(nc1)Br 2230a_100009817727_100000230001 [0,2,0,0,0,0|2,0,0]=4 10136 B13R1.9 OCCCNCc1ccc(nc1)Br 34a_100009817727_100000230001 [0,2,0,0,0,0|2,0,0]=4 10137 B13R1.9 OCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000230001 [0,2,0,0,0,0|2,0,0]=4 10138 B13R1.9 OCCCNCc1ccc(nc1)Cl 34a_100000735879_100000230001 [0,2,0,0,0,0|2,0,0]=4 10139 B13R1.9 OCCCNCc1ccc(nc1)F 2230a_100000101913_100000230001 [0,2,0,0,0,0|2,0,0]=4 10140 B13R1.9 OCCCNCc1ccc(nc1)F 34a_100000101913_100000230001 [0,2,0,0,0,0|2,0,0]=4 10141 B13R1.9 OCCCNCc1ccc(nc1)O 207a_100000182051_100011361521 [0,2,0,0,0,0|2,0,0]=4 10142 B13R1.9 OCCCNCc1ccc(nc1)O 2230a_100000757128_100000230001 [0,2,0,0,0,0|2,0,0]=4 10143 B13R1.9 OCCCOCc1ccc(cc1)Br 34a_100000695286_100000230001 [0,2,0,0,0,0|1,0,0]=3 10144 B13R1.9 OCCCOCc1ccc(cc1)Cl 34a_100000211118_100000230001 [0,2,0,0,0,0|1,0,0]=3 10145 B13R1.9 OCCCOCc1ccc(cc1)Cl 7a_100000211118_100011215043 [0,2,0,0,0,0|1,0,0]=3 10146 B13R1.9 OCCCOCc1ccc(cc1)F 34a_100000210977_100000230001 [0,2,0,0,0,0|1,0,0]=3 10147 B13R1.9 OCCCOCc1ccc(cc1)F 7a_100000210977_100011215043 [0,2,0,0,0,0|1,0,0]=3 10148 B13R1.9 OCCCOCc1ccc(cc1)I 34a_100000690907_100000230001 [0,2,0,0,0,0|1,0,0]=3 10149 B13R1.9 OCCCOCc1ccc(cc1)I 7a_100000690907_100011215043 [0,2,0,0,0,0|1,0,0]=3 10150 B13R1.9 OCCCOCc1ccc(cn1)Br 34a_100000754261_100000230001 [0,2,0,0,0,0|2,0,0]=4 10151 B13R1.9 OCCCOCc1ccc(cn1)Cl 34a_100000703999_100000230001 [0,2,0,0,0,0|2,0,0]=4 10152 B13R1.9 OCCCOCc1ccc(cn1)F 34a_100011999454_100000230001 [0,2,0,0,0,0|2,0,0]=4 10153 B13R1.9 OCCCOCc1ccc(nc1)Br 34a_100009816760_100000230001 [0,2,0,0,0,0|2,0,0]=4 10154 B13R1.9 OCCCOCc1ccc(nc1)Br 7a_100009816760_100011215043 [0,2,0,0,0,0|2,0,0]=4 10155 B13R1.9 OCCCOCc1ccc(nc1)Cl 34a_100000755211_100000230001 [0,2,0,0,0,0|2,0,0]=4 10156 B13R1.9 OCCCOCc1ccc(nc1)Cl 7a_100000755211_100011215043 [0,2,0,0,0,0|2,0,0]=4 10157 B13R1.9 OCCCOCc1ccc(nc1)F 34a_100000079959_100000230001 [0,2,0,0,0,0|2,0,0]=4 10158 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100000189115_100011215043 [0,2,0,0,0,0|1,0,0]=3 10159 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100011215043_100000189115 [0,2,0,0,0,0|1,0,0]=3 10160 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100000187161_100011215043 [0,2,0,0,0,0|1,0,0]=3 10161 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100011215043_100000187161 [0,2,0,0,0,0|1,0,0]=3 10162 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100000198546_100011215043 [0,2,0,0,0,0|1,0,0]=3 10163 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100011215043_100000187164 [0,2,0,0,0,0|1,0,0]=3 10164 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100000189116_100011215043 [0,2,0,0,0,0|1,0,0]=3 10165 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100011215043_100000189116 [0,2,0,0,0,0|1,0,0]=3 10166 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100000702658_100011215043 [0,2,0,0,0,0|2,0,0]=4 10167 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100011215043_100000702658 [0,2,0,0,0,0|2,0,0]=4 10168 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100011215043_100000697101 [0,2,0,0,0,0|2,0,0]=4 10169 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100012066911_100011215043 [0,2,0,0,0,0|2,0,0]=4 10170 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100000703193_100011215043 [0,2,0,0,0,0|2,0,0]=4 10171 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100011215043_100000703193 [0,2,0,0,0,0|2,0,0]=4 10172 B13R1.9 OCCCSCc1ccc(nc1)Br 62a_100009831999_100011215043 [0,2,0,0,0,0|2,0,0]=4 10173 B13R1.9 OCCCSCc1ccc(nc1)Br 62a_100011215043_100009831999 [0,2,0,0,0,0|2,0,0]=4 10174 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100000735431_100011215043 [0,2,0,0,0,0|2,0,0]=4 10175 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100011215043_100000735431 [0,2,0,0,0,0|2,0,0]=4 10176 B13R1.9 OCCCSCc1ccc(nc1)F 62a_100009820150_100011215043 [0,2,0,0,0,0|2,0,0]=4 10177 B13R1.9 OCCCSCc1ccc(nc1)F 62a_100011215043_100000099788 [0,2,0,0,0,0|2,0,0]=4 10178 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100000755846_100000211926 [0,2,0,0,0,0|1,0,0]=3 10179 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100016997473_100011740612 [0,2,0,0,0,0|1,0,0]=3 10180 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100000755846_100000211926 [0,2,0,0,0,0|1,0,0]=3 10181 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100016990907_100011740612 [0,2,0,0,0,0|1,0,0]=3 10182 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000211926 [0,2,0,0,0,0|1,0,0]=3 10183 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100016997473_100011713675 [0,2,0,0,0,0|1,0,0]=3 10184 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100000185265_100000211926 [0,2,0,0,0,0|1,0,0]=3 10185 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100016990907_100011713675 [0,2,0,0,0,0|1,0,0]=3 10186 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100000199005_100000211926 [0,2,0,0,0,0|1,0,0]=3 10187 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100016997473_100011217392 [0,2,0,0,0,0|1,0,0]=3 10188 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100000199005_100000211926 [0,2,0,0,0,0|1,0,0]=3 10189 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100016990907_100011217392 [0,2,0,0,0,0|1,0,0]=3 10190 B13R1.9 OCCNCCc1ccc(cc1)O 2230a_100016997473_100009816426 [0,2,0,0,0,0|1,0,0]=3 10191 B13R1.9 OCCNCCc1ccc(cc1)O 34a_100000743037_100000211926 [0,2,0,0,0,0|1,0,0]=3 10192 B13R1.9 OCCOCCc1ccc(cc1)Br 34a_100000766406_100000211926 [0,2,0,0,0,0|1,0,0]=3 10193 B13R1.9 OCCOCCc1ccc(cc1)Br 7a_100000766406_100000211926 [0,2,0,0,0,0|1,0,0]=3 10194 B13R1.9 OCCOCCc1ccc(cc1)Cl 34a_100011219627_100000211926 [0,2,0,0,0,0|1,0,0]=3 10195 B13R1.9 OCCOCCc1ccc(cc1)Cl 7a_100011219627_100000211926 [0,2,0,0,0,0|1,0,0]=3 10196 B13R1.9 OCCOCCc1ccc(cc1)F 34a_100000754732_100000211926 [0,2,0,0,0,0|1,0,0]=3 10197 B13R1.9 OCCOCCc1ccc(cc1)F 7a_100000754732_100000211926 [0,2,0,0,0,0|1,0,0]=3 10198 B13R1.9 OCCOCCc1ccc(cc1)I 34a_100012291149_100000211926 [0,2,0,0,0,0|1,0,0]=3 10199 B13R1.9 OCCOCCc1ccc(cc1)I 7a_100012291149_100000211926 [0,2,0,0,0,0|1,0,0]=3 10200 B13R1.9 OCCOCCc1ccc(cn1)Br 34a_100012357577_100000211926 [0,2,0,0,0,0|2,0,0]=4 10201 B13R1.9 OCCOCCc1ccc(nc1)Cl 34a_100009880866_100000211926 [0,2,0,0,0,0|2,0,0]=4 10202 B13R1.9 OCCOCCc1ccc(nc1)Cl 7a_100009880866_100000211926 [0,2,0,0,0,0|2,0,0]=4 10203 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100000211926_100011740612 [0,2,0,0,0,0|1,0,0]=3 10204 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100011740612_100000211926 [0,2,0,0,0,0|1,0,0]=3 10205 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100000211926_100011713675 [0,2,0,0,0,0|1,0,0]=3 10206 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100011713675_100000211926 [0,2,0,0,0,0|1,0,0]=3 10207 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100000211926_100011217392 [0,2,0,0,0,0|1,0,0]=3 10208 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100011217392_100000211926 [0,2,0,0,0,0|1,0,0]=3 10209 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100000211926_100009816426 [0,2,0,0,0,0|1,0,0]=3 10210 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100009816426_100000211926 [0,2,0,0,0,0|1,0,0]=3 10211 B13R1.9 Oc1ccc(cc1)CCNCCF 34a_100000743037_100011217306 [0,2,0,0,0,0|1,0,0]=3 10212 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100009816426_100011217306 [0,2,0,0,0,0|1,0,0]=3 10213 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100011217306_100009816426 [0,2,0,0,0,0|1,0,0]=3 10214 B13R1.9 Oc1ccc(cc1)CNCCCF 34a_100000185549_100011934791 [0,2,0,0,0,0|1,0,0]=3 10215 B13R1.9 Oc1ccc(cc1)NCCCCF 34a_100000185829_100000729493 [0,2,0,0,0,0|1,0,0]=3 10216 B13R1.9 Oc1ccc(cc1)SCCCCF 62a_100000729493_100000185759 [0,2,0,0,0,0|1,0,0]=3 10217 B13R1.9 Oc1ccc(cn1)CNCCCF 207a_100015189416_100011361521 [0,2,0,0,0,0|2,0,0]=4 10218 B13R1.9 Oc1ccc(cn1)CNCCCF 2230a_100000757128_100011934791 [0,2,0,0,0,0|2,0,0]=4 10219 B13R1.9 Oc1ccc(nc1)SCCCCF 62a_100000685995_100000729493 [0,2,0,0,0,0|2,0,0]=4 10220 B13R1.9 Oc1ccc(nc1)SCCCCF 62a_100000729493_100000744096 [0,2,0,0,0,0|2,0,0]=4 10221 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [0,2,0,0,0,0|0,0,0]=2 10222 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [0,2,0,0,0,0|0,0,0]=2 10223 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 2230a_200011199081_200025704644 [0,2,0,0,0,0|1,0,0]=3 10224 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 34a_200011199081_200025704644 [0,2,0,0,0,0|1,0,0]=3 10225 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 2230a_100000747263_200025704644 [0,2,0,0,0,0|1,0,0]=3 10226 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 34a_100000747263_200025704644 [0,2,0,0,0,0|1,0,0]=3 10227 B13R1.9 [13CH3]NCCCSc1ccc(cc1)Cl 2230a_100000189518_200025704644 [0,2,0,0,0,0|1,0,0]=3 10228 B13R1.9 [13CH3]NCCCSc1ccc(cc1)F 2230a_100000683907_200025704644 [0,2,0,0,0,0|1,0,0]=3 10229 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 2230a_100000189180_200025704644 [0,2,0,0,0,0|1,0,0]=3 10230 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 34a_100000189180_200025704644 [0,2,0,0,0,0|1,0,0]=3 10231 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 2230a_100000739548_200025704644 [0,2,0,0,0,0|1,0,0]=3 10232 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 34a_100000739548_200025704644 [0,2,0,0,0,0|1,0,0]=3 10233 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 7a_100000739548_200025704644 [0,2,0,0,0,0|1,0,0]=3 10234 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 2230a_100020610864_200025704644 [0,2,0,0,0,0|1,0,0]=3 10235 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 34a_100020610864_200025704644 [0,2,0,0,0,0|1,0,0]=3 10236 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 7a_100020610864_200025704644 [0,2,0,0,0,0|1,0,0]=3 10237 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 34a_100000756186_200025704644 [0,2,0,0,0,0|2,0,0]=4 10238 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 7a_100000756186_200025704644 [0,2,0,0,0,0|2,0,0]=4 10239 B13R1.9 [13CH3]OCCCOc1ccc(cc1)N 34a_100000730458_200025704644 [0,2,0,0,0,0|2,0,0]=4 10240 B13R1.9 [13CH3]OCCNCc1ccc(cc1)Br 34a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 10241 B13R1.9 [13CH3]OCCNCc1ccc(cc1)F 34a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 10242 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 34a_200000186141_200025704644 [0,2,0,0,0,0|2,0,0]=4 10243 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 7a_200000186141_200025704644 [0,2,0,0,0,0|2,0,0]=4 10244 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200012094861_200025704644 [0,2,0,0,0,0|1,0,0]=3 10245 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200025704644_200012094861 [0,2,0,0,0,0|1,0,0]=3 10246 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_100012093538_200025704644 [0,2,0,0,0,0|1,0,0]=3 10247 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_200025704644_100012093538 [0,2,0,0,0,0|1,0,0]=3 10248 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_100011259224_200025704644 [0,2,0,0,0,0|2,0,0]=4 10249 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_200025704644_100011259224 [0,2,0,0,0,0|2,0,0]=4 10250 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_100000181347_200025704644 [0,2,0,0,0,0|2,0,0]=4 10251 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_200025704644_100000181347 [0,2,0,0,0,0|2,0,0]=4 10252 B13R1.9 [O-][n+]1ccc(cc1)COCCCF 34a_100000031831_100011934791 [0,2,0,0,0,0|2,0,0]=4 10253 B13R1.9 [O-][n+]1ccc(cc1)COCCCF 7a_100000031831_100011934791 [0,2,0,0,0,0|2,0,0]=4 10254 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 34a_100000031831_100000230001 [0,2,0,0,0,0|2,0,0]=4 10255 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 7a_100000031831_100011215043 [0,2,0,0,0,0|2,0,0]=4 10256 B13R1.9 [O-][n+]1ccc(cc1)SCCCCF 62a_100000729493_100000039755 [0,2,0,0,0,0|2,0,0]=4 10257 B13R1.9 [O-][n+]1ccc(cc1)SCCCCO 62a_100000210776_100000039755 [0,2,0,0,0,0|2,0,0]=4 10258 B13R1.14 CC(CF)OCc1ccc(cc1)Br 34a_100016041109_100000189115 [0,2,0,0,0,0|2,0,0]=4 10259 B13R1.14 CC(CF)OCc1ccc(cc1)Br 7a_100016041109_100011217064 [0,2,0,0,0,0|2,0,0]=4 10260 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,2,0,0,0,0|2,0,0]=4 10261 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,2,0,0,0,0|2,0,0]=4 10262 B13R1.14 CC(CF)OCc1ccc(cc1)F 34a_100016041109_100000198546 [0,2,0,0,0,0|2,0,0]=4 10263 B13R1.14 CC(CF)OCc1ccc(cc1)F 7a_100016041109_100000198546 [0,2,0,0,0,0|2,0,0]=4 10264 B13R1.14 CC(CF)OCc1ccc(cc1)I 34a_100016041109_100000189116 [0,2,0,0,0,0|2,0,0]=4 10265 B13R1.14 CC(CF)OCc1ccc(cc1)I 7a_100016041109_100000189116 [0,2,0,0,0,0|2,0,0]=4 10266 B13R1.14 CC(CN)OCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,2,0,0,0,0|1,0,0]=3 10267 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,2,0,0,0,0|1,0,0]=3 10268 B13R1.14 CC(CN)OCc1ccc(cc1)F 34a_100000210904_100000198546 [0,2,0,0,0,0|1,0,0]=3 10269 B13R1.14 CC(CN)OCc1ccc(cc1)I 34a_100000210904_100000189116 [0,2,0,0,0,0|1,0,0]=3 10270 B13R1.14 CC(CN)OCc1ccc(cn1)Br 34a_100000210904_100000702658 [0,2,0,0,0,0|2,0,0]=4 10271 B13R1.14 CC(CN)OCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,2,0,0,0,0|2,0,0]=4 10272 B13R1.14 CC(CN)OCc1ccc(cn1)F 34a_100000210904_100000703193 [0,2,0,0,0,0|2,0,0]=4 10273 B13R1.14 CC(CN)OCc1ccc(nc1)Br 34a_100000210904_100009831999 [0,2,0,0,0,0|2,0,0]=4 10274 B13R1.14 CC(CN)OCc1ccc(nc1)Cl 34a_100000210904_100000735431 [0,2,0,0,0,0|2,0,0]=4 10275 B13R1.14 CC(CN)OCc1ccc(nc1)F 34a_100000210904_100000099788 [0,2,0,0,0,0|2,0,0]=4 10276 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,2,0,0,0,0|2,0,0]=4 10277 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,2,0,0,0,0|2,0,0]=4 10278 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,2,0,0,0,0|2,0,0]=4 10279 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,2,0,0,0,0|2,0,0]=4 10280 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,2,0,0,0,0|2,0,0]=4 10281 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,2,0,0,0,0|2,0,0]=4 10282 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,2,0,0,0,0|2,0,0]=4 10283 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,2,0,0,0,0|2,0,0]=4 10284 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,2,0,0,0,0|2,0,0]=4 10285 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,2,0,0,0,0|2,0,0]=4 10286 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,2,0,0,0,0|2,0,0]=4 10287 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,2,0,0,0,0|2,0,0]=4 10288 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,2,0,0,0,0|2,0,0]=4 10289 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,2,0,0,0,0|2,0,0]=4 10290 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,2,0,0,0,0|2,0,0]=4 10291 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,2,0,0,0,0|2,0,0]=4 10292 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,2,0,0,0,0|2,0,0]=4 10293 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,2,0,0,0,0|2,0,0]=4 10294 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,2,0,0,0,0|2,0,0]=4 10295 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,2,0,0,0,0|2,0,0]=4 10296 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,2,0,0,0,0|2,0,0]=4 10297 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,2,0,0,0,0|1,0,1]=4 10298 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,2,0,0,0,0|1,0,1]=4 10299 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [0,2,0,0,0,0|1,0,1]=4 10300 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [0,2,0,0,0,0|1,0,1]=4 10301 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,2,0,0,0,0|1,0,1]=4 10302 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,2,0,0,0,0|1,0,1]=4 10303 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [0,2,0,0,0,0|1,0,1]=4 10304 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [0,2,0,0,0,0|1,0,1]=4 10305 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [0,2,0,0,0,0|1,0,1]=4 10306 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,2,0,0,0,0|1,0,1]=4 10307 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,2,0,0,0,0|1,0,1]=4 10308 B13R1.14 CCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748023 [0,2,0,0,0,0|2,0,0]=4 10309 B13R1.14 CCC(C)CNc1ccc(cc1)Br 34a_100000210018_100000748023 [0,2,0,0,0,0|2,0,0]=4 10310 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,2,0,0,0,0|2,0,0]=4 10311 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 10312 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 10313 B13R1.14 CCC(C)CNc1ccc(cc1)F 34a_100000185862_100000748023 [0,2,0,0,0,0|2,0,0]=4 10314 B13R1.14 CCC(C)CNc1ccc(cc1)I 34a_100000185761_100000748023 [0,2,0,0,0,0|2,0,0]=4 10315 B13R1.14 CCC(C)CNc1ccc(cc1)O 34a_100000185829_100000748023 [0,2,0,0,0,0|2,0,0]=4 10316 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,2,0,0,0,0|2,0,0]=4 10317 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,2,0,0,0,0|2,0,0]=4 10318 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 10319 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 10320 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,2,0,0,0,0|2,0,0]=4 10321 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,2,0,0,0,0|2,0,0]=4 10322 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,2,0,0,0,0|2,0,0]=4 10323 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,2,0,0,0,0|2,0,0]=4 10324 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,2,0,0,0,0|2,0,0]=4 10325 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,2,0,0,0,0|2,0,0]=4 10326 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000748023_100000752885 [0,2,0,0,0,0|2,0,0]=4 10327 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000752885_100000748023 [0,2,0,0,0,0|2,0,0]=4 10328 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,2,0,0,0,0|2,0,0]=4 10329 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,2,0,0,0,0|2,0,0]=4 10330 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,2,0,0,0,0|2,0,0]=4 10331 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,2,0,0,0,0|2,0,0]=4 10332 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000211213_100000748023 [0,2,0,0,0,0|2,0,0]=4 10333 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000748023_100000211213 [0,2,0,0,0,0|2,0,0]=4 10334 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000185761_100000748023 [0,2,0,0,0,0|2,0,0]=4 10335 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000748023_100000185761 [0,2,0,0,0,0|2,0,0]=4 10336 B13R1.14 CCC(C)CSc1ccc(cc1)O 62a_100000748023_100000185759 [0,2,0,0,0,0|2,0,0]=4 10337 B13R1.14 CCC(C)NCc1ccc(cc1)Br 207a_100000209981_100000186029 [0,2,0,0,0,0|2,0,0]=4 10338 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000758301 [0,2,0,0,0,0|2,0,0]=4 10339 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000209981_100011217064 [0,2,0,0,0,0|2,0,0]=4 10340 B13R1.14 CCC(C)NCc1ccc(cc1)Br 270004a_100000209981_100000186029 [0,2,0,0,0,0|2,0,0]=4 10341 B13R1.14 CCC(C)NCc1ccc(cc1)Br 34a_100000174875_100011215416 [0,2,0,0,0,0|2,0,0]=4 10342 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,2,0,0,0,0|2,0,0]=4 10343 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,2,0,0,0,0|2,0,0]=4 10344 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,2,0,0,0,0|2,0,0]=4 10345 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,2,0,0,0,0|2,0,0]=4 10346 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,2,0,0,0,0|2,0,0]=4 10347 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 10348 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,2,0,0,0,0|2,0,0]=4 10349 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,2,0,0,0,0|2,0,0]=4 10350 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 10351 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,2,0,0,0,0|2,0,0]=4 10352 B13R1.14 CCC(C)NCc1ccc(cc1)F 207a_100000209981_100000210084 [0,2,0,0,0,0|2,0,0]=4 10353 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000758301 [0,2,0,0,0,0|2,0,0]=4 10354 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000209981_100000198546 [0,2,0,0,0,0|2,0,0]=4 10355 B13R1.14 CCC(C)NCc1ccc(cc1)F 270004a_100000209981_100000210084 [0,2,0,0,0,0|2,0,0]=4 10356 B13R1.14 CCC(C)NCc1ccc(cc1)F 34a_100000174882_100011215416 [0,2,0,0,0,0|2,0,0]=4 10357 B13R1.14 CCC(C)NCc1ccc(cc1)I 207a_100000209981_100000188517 [0,2,0,0,0,0|2,0,0]=4 10358 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100000209981_100000189116 [0,2,0,0,0,0|2,0,0]=4 10359 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000758301 [0,2,0,0,0,0|2,0,0]=4 10360 B13R1.14 CCC(C)NCc1ccc(cc1)I 34a_100016989417_100011215416 [0,2,0,0,0,0|2,0,0]=4 10361 B13R1.14 CCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186513 [0,2,0,0,0,0|2,0,0]=4 10362 B13R1.14 CCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215416 [0,2,0,0,0,0|2,0,0]=4 10363 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,2,0,0,0,0|2,0,0]=4 10364 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,2,0,0,0,0|2,0,0]=4 10365 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,2,0,0,0,0|2,0,0]=4 10366 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,2,0,0,0,0|2,0,0]=4 10367 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,2,0,0,0,0|2,0,0]=4 10368 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,2,0,0,0,0|2,0,0]=4 10369 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,2,0,0,0,0|2,0,0]=4 10370 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,2,0,0,0,0|2,0,0]=4 10371 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,2,0,0,0,0|2,0,0]=4 10372 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,2,0,0,0,0|2,0,0]=4 10373 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,2,0,0,0,0|2,0,0]=4 10374 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,2,0,0,0,0|2,0,0]=4 10375 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,2,0,0,0,0|2,0,0]=4 10376 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,2,0,0,0,0|2,0,0]=4 10377 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,2,0,0,0,0|2,0,0]=4 10378 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000758301 [0,2,0,0,0,0|2,0,0]=4 10379 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000758301_100000189115 [0,2,0,0,0,0|2,0,0]=4 10380 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,2,0,0,0,0|2,0,0]=4 10381 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,2,0,0,0,0|2,0,0]=4 10382 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,2,0,0,0,0|2,0,0]=4 10383 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,2,0,0,0,0|2,0,0]=4 10384 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000198546_100000758301 [0,2,0,0,0,0|2,0,0]=4 10385 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000758301_100000187164 [0,2,0,0,0,0|2,0,0]=4 10386 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000189116_100000758301 [0,2,0,0,0,0|2,0,0]=4 10387 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000758301_100000189116 [0,2,0,0,0,0|2,0,0]=4 10388 B13R1.14 CCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218378 [0,2,0,0,0,0|2,0,0]=4 10389 B13R1.14 CCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218378 [0,2,0,0,0,0|2,0,0]=4 10390 B13R1.14 CCC(O)CNc1ccc(cc1)C 34a_100000124888_100011218378 [0,2,0,0,0,0|2,0,0]=4 10391 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218378 [0,2,0,0,0,0|2,0,0]=4 10392 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218378 [0,2,0,0,0,0|2,0,0]=4 10393 B13R1.14 CCC(O)CNc1ccc(cc1)F 34a_100000185862_100011218378 [0,2,0,0,0,0|2,0,0]=4 10394 B13R1.14 CCC(O)CNc1ccc(cc1)I 34a_100000185761_100011218378 [0,2,0,0,0,0|2,0,0]=4 10395 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,2,0,0,0,0|2,0,0]=4 10396 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,2,0,0,0,0|2,0,0]=4 10397 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,2,0,0,0,0|2,0,0]=4 10398 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,2,0,0,0,0|2,0,0]=4 10399 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,2,0,0,0,0|2,0,0]=4 10400 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,2,0,0,0,0|2,0,0]=4 10401 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,2,0,0,0,0|2,0,0]=4 10402 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,2,0,0,0,0|2,0,0]=4 10403 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,2,0,0,0,0|2,0,0]=4 10404 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,2,0,0,0,0|2,0,0]=4 10405 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,2,0,0,0,0|2,0,0]=4 10406 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218378 [0,2,0,0,0,0|2,0,0]=4 10407 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100011218378_100000752885 [0,2,0,0,0,0|2,0,0]=4 10408 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100000186775_100011218378 [0,2,0,0,0,0|2,0,0]=4 10409 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100011218378_100000186775 [0,2,0,0,0,0|2,0,0]=4 10410 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218378 [0,2,0,0,0,0|2,0,0]=4 10411 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100011218378_100000755918 [0,2,0,0,0,0|2,0,0]=4 10412 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100000211213_100011218378 [0,2,0,0,0,0|2,0,0]=4 10413 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100011218378_100000211213 [0,2,0,0,0,0|2,0,0]=4 10414 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100000185761_100011218378 [0,2,0,0,0,0|2,0,0]=4 10415 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100011218378_100000185761 [0,2,0,0,0,0|2,0,0]=4 10416 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,2,0,0,0,0|2,0,0]=4 10417 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000225621_100011740612 [0,2,0,0,0,0|2,0,0]=4 10418 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210202 [0,2,0,0,0,0|2,0,0]=4 10419 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000225621_100011740612 [0,2,0,0,0,0|2,0,0]=4 10420 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000204670 [0,2,0,0,0,0|2,0,0]=4 10421 B13R1.14 CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210202 [0,2,0,0,0,0|2,0,0]=4 10422 B13R1.14 CCN(C)CCc1ccc(cc1)C 2230a_100000225621_100011713686 [0,2,0,0,0,0|2,0,0]=4 10423 B13R1.14 CCN(C)CCc1ccc(cc1)C 269982a_100000225621_100011713686 [0,2,0,0,0,0|2,0,0]=4 10424 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 10425 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 10426 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 10427 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000204670 [0,2,0,0,0,0|2,0,0]=4 10428 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 10429 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100000225621_100011217392 [0,2,0,0,0,0|2,0,0]=4 10430 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210202 [0,2,0,0,0,0|2,0,0]=4 10431 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100000225621_100011217392 [0,2,0,0,0,0|2,0,0]=4 10432 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000204670 [0,2,0,0,0,0|2,0,0]=4 10433 B13R1.14 CCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210202 [0,2,0,0,0,0|2,0,0]=4 10434 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100000225621_100009816426 [0,2,0,0,0,0|2,0,0]=4 10435 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210202 [0,2,0,0,0,0|2,0,0]=4 10436 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100000225621_100009816426 [0,2,0,0,0,0|2,0,0]=4 10437 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000204670 [0,2,0,0,0,0|2,0,0]=4 10438 B13R1.14 CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210202 [0,2,0,0,0,0|2,0,0]=4 10439 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 2230a_100000210018_100009816398 [0,2,0,0,0,0|2,0,0]=4 10440 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 34a_100000210018_100009816398 [0,2,0,0,0,0|2,0,0]=4 10441 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,2,0,0,0,0|2,0,0]=4 10442 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 10443 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 10444 B13R1.14 CC[C@H](C)CNc1ccc(cc1)F 34a_100000185862_100009816398 [0,2,0,0,0,0|2,0,0]=4 10445 B13R1.14 CC[C@H](C)CNc1ccc(cc1)I 34a_100000185761_100009816398 [0,2,0,0,0,0|2,0,0]=4 10446 B13R1.14 CC[C@H](C)CNc1ccc(cc1)O 34a_100000185829_100009816398 [0,2,0,0,0,0|2,0,0]=4 10447 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,2,0,0,0,0|2,0,0]=4 10448 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,2,0,0,0,0|2,0,0]=4 10449 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 10450 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 10451 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,2,0,0,0,0|2,0,0]=4 10452 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,2,0,0,0,0|2,0,0]=4 10453 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,2,0,0,0,0|2,0,0]=4 10454 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,2,0,0,0,0|2,0,0]=4 10455 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,2,0,0,0,0|2,0,0]=4 10456 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,2,0,0,0,0|2,0,0]=4 10457 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100000752885_100009816398 [0,2,0,0,0,0|2,0,0]=4 10458 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100009816398_100000752885 [0,2,0,0,0,0|2,0,0]=4 10459 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,2,0,0,0,0|2,0,0]=4 10460 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,2,0,0,0,0|2,0,0]=4 10461 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,2,0,0,0,0|2,0,0]=4 10462 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,2,0,0,0,0|2,0,0]=4 10463 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100000211213_100009816398 [0,2,0,0,0,0|2,0,0]=4 10464 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100009816398_100000211213 [0,2,0,0,0,0|2,0,0]=4 10465 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100000185761_100009816398 [0,2,0,0,0,0|2,0,0]=4 10466 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100009816398_100000185761 [0,2,0,0,0,0|2,0,0]=4 10467 B13R1.14 CC[C@H](C)CSc1ccc(cc1)O 62a_100009816398_100000185759 [0,2,0,0,0,0|2,0,0]=4 10468 B13R1.14 CN(CF)CCc1ccc(cc1)Br 269982a_100000752880_100015361967 [0,2,0,0,0,0|2,0,0]=4 10469 B13R1.14 CN(CF)CCc1ccc(cc1)Br 34a_100000752880_100015361967 [0,2,0,0,0,0|2,0,0]=4 10470 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 269982a_100000698262_100015361967 [0,2,0,0,0,0|2,0,0]=4 10471 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 34a_100000698262_100015361967 [0,2,0,0,0,0|2,0,0]=4 10472 B13R1.14 CN(CF)CCc1ccc(cc1)F 269982a_100102946585_100015361967 [0,2,0,0,0,0|2,0,0]=4 10473 B13R1.14 CN(CF)CCc1ccc(cc1)F 34a_100102946585_100015361967 [0,2,0,0,0,0|2,0,0]=4 10474 B13R1.14 CN(CF)CCc1ccc(cc1)O 269982a_100016989440_100015361967 [0,2,0,0,0,0|2,0,0]=4 10475 B13R1.14 CN(CF)CCc1ccc(cc1)O 34a_100016989440_100015361967 [0,2,0,0,0,0|2,0,0]=4 10476 B13R1.14 CNC(C)CCc1ccc(cc1)Cl 270004a_106832991635_100011279170 [0,2,0,0,0,0|2,0,0]=4 10477 B13R1.14 CNC(C)CCc1ccc(cc1)F 270004a_106832991635_100000743244 [0,2,0,0,0,0|2,0,0]=4 10478 B13R1.14 CNC(C)CCc1ccc(cc1)I 270004a_106832991635_100000723691 [0,2,0,0,0,0|2,0,0]=4 10479 B13R1.14 CNC(C)CCc1ccc(cc1)O 270004a_106832991635_100000198047 [0,2,0,0,0,0|2,0,0]=4 10480 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,2,0,0,0,0|2,0,0]=4 10481 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,2,0,0,0,0|2,0,0]=4 10482 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,2,0,0,0,0|2,0,0]=4 10483 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,2,0,0,0,0|2,0,0]=4 10484 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,2,0,0,0,0|2,0,0]=4 10485 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,2,0,0,0,0|2,0,0]=4 10486 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,2,0,0,0,0|2,0,0]=4 10487 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,2,0,0,0,0|2,0,0]=4 10488 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,2,0,0,0,0|2,0,0]=4 10489 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,2,0,0,0,0|2,0,0]=4 10490 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,2,0,0,0,0|2,0,0]=4 10491 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,2,0,0,0,0|2,0,0]=4 10492 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,2,0,0,0,0|2,0,0]=4 10493 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,2,0,0,0,0|2,0,0]=4 10494 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,2,0,0,0,0|2,0,0]=4 10495 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,2,0,0,0,0|2,0,0]=4 10496 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,2,0,0,0,0|2,0,0]=4 10497 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,2,0,0,0,0|2,0,0]=4 10498 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,2,0,0,0,0|2,0,0]=4 10499 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,2,0,0,0,0|2,0,0]=4 10500 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,2,0,0,0,0|2,0,0]=4 10501 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,2,0,0,0,0|2,0,0]=4 10502 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,2,0,0,0,0|2,0,0]=4 10503 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,2,0,0,0,0|2,0,0]=4 10504 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 207a_100102880703_100000186029 [0,2,0,0,0,0|2,0,0]=4 10505 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 270004a_100102880703_100000186029 [0,2,0,0,0,0|2,0,0]=4 10506 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,2,0,0,0,0|2,0,0]=4 10507 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,2,0,0,0,0|2,0,0]=4 10508 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 207a_100102880703_100000210084 [0,2,0,0,0,0|2,0,0]=4 10509 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 270004a_100102880703_100000210084 [0,2,0,0,0,0|2,0,0]=4 10510 B13R1.14 C[C@H](CF)NCc1ccc(cc1)I 207a_100102880703_100000188517 [0,2,0,0,0,0|2,0,0]=4 10511 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,2,0,0,0,0|2,0,0]=4 10512 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,2,0,0,0,0|2,0,0]=4 10513 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,2,0,0,0,0|2,0,0]=4 10514 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,2,0,0,0,0|2,0,0]=4 10515 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,2,0,0,0,0|2,0,0]=4 10516 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,2,0,0,0,0|2,0,0]=4 10517 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,2,0,0,0,0|2,0,0]=4 10518 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,2,0,0,0,0|2,0,0]=4 10519 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,2,0,0,0,0|2,0,0]=4 10520 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,2,0,0,0,0|2,0,0]=4 10521 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,2,0,0,0,0|2,0,0]=4 10522 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,2,0,0,0,0|2,0,0]=4 10523 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,2,0,0,0,0|2,0,0]=4 10524 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,2,0,0,0,0|2,0,0]=4 10525 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,2,0,0,0,0|2,0,0]=4 10526 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,2,0,0,0,0|2,0,0]=4 10527 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,2,0,0,0,0|2,0,0]=4 10528 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,2,0,0,0,0|2,0,0]=4 10529 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,2,0,0,0,0|2,0,0]=4 10530 B13R1.14 Cc1ccc(cc1)CCC(=O)CF 1458a_100000234883_100015361967 [0,2,0,0,0,0|1,0,1]=4 10531 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,2,0,0,0,0|1,0,1]=4 10532 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,2,0,0,0,0|2,0,0]=4 10533 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,2,0,0,0,0|2,0,0]=4 10534 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000211033 [0,2,0,0,0,0|2,0,0]=4 10535 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000211033 [0,2,0,0,0,0|2,0,0]=4 10536 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,2,0,0,0,0|2,0,0]=4 10537 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,2,0,0,0,0|2,0,0]=4 10538 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,2,0,0,0,0|2,0,0]=4 10539 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,2,0,0,0,0|2,0,0]=4 10540 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,2,0,0,0,0|2,0,0]=4 10541 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,2,0,0,0,0|1,0,0]=3 10542 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,2,0,0,0,0|2,0,0]=4 10543 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,2,0,0,0,0|2,0,0]=4 10544 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,2,0,0,0,0|2,0,0]=4 10545 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,2,0,0,0,0|2,0,0]=4 10546 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,2,0,0,0,0|2,0,0]=4 10547 B13R1.14 Cc1ccc(cc1)NCC(O)CO 34a_100000124888_100011219619 [0,2,0,0,0,0|2,0,0]=4 10548 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,2,0,0,0,0|2,0,0]=4 10549 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CF 34a_100000124888_100015614560 [0,2,0,0,0,0|2,0,0]=4 10550 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CO 34a_100000124888_100009815848 [0,2,0,0,0,0|2,0,0]=4 10551 B13R1.14 Cc1ccc(cc1)OCC(O)CO 34a_100000210336_100011219619 [0,2,0,0,0,0|2,0,0]=4 10552 B13R1.14 Cc1ccc(cc1)OCC(O)CO 7a_100000210336_100011219619 [0,2,0,0,0,0|2,0,0]=4 10553 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,2,0,0,0,0|2,0,0]=4 10554 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,2,0,0,0,0|2,0,0]=4 10555 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000210336_100015614560 [0,2,0,0,0,0|2,0,0]=4 10556 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000210336_100015614560 [0,2,0,0,0,0|2,0,0]=4 10557 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210336_100009815848 [0,2,0,0,0,0|2,0,0]=4 10558 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210336_100009815848 [0,2,0,0,0,0|2,0,0]=4 10559 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100000186775_100011219619 [0,2,0,0,0,0|2,0,0]=4 10560 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000186775 [0,2,0,0,0,0|2,0,0]=4 10561 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,2,0,0,0,0|2,0,0]=4 10562 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,2,0,0,0,0|2,0,0]=4 10563 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100000186775_100015614560 [0,2,0,0,0,0|2,0,0]=4 10564 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000186775 [0,2,0,0,0,0|2,0,0]=4 10565 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000186775_100009815848 [0,2,0,0,0,0|2,0,0]=4 10566 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000186775 [0,2,0,0,0,0|2,0,0]=4 10567 B13R1.14 Cc1ccc(cn1)COC(C)CN 34a_100000210904_100016987292 [0,2,0,0,0,0|2,0,0]=4 10568 B13R1.14 Cc1ccc(nc1)COC(C)CN 34a_100000210904_100000691093 [0,2,0,0,0,0|2,0,0]=4 10569 B13R1.14 Nc1ccc(cc1)OCC(O)CO 34a_100000185829_100011219619 [0,2,0,0,0,0|2,0,0]=4 10570 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CF 34a_100000185829_100015614560 [0,2,0,0,0,0|2,0,0]=4 10571 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000185829_100009815848 [0,2,0,0,0,0|2,0,0]=4 10572 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100000185761_100011219619 [0,2,0,0,0,0|2,0,0]=4 10573 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100011219619_100000185761 [0,2,0,0,0,0|2,0,0]=4 10574 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100000185761_100015614560 [0,2,0,0,0,0|2,0,0]=4 10575 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185761 [0,2,0,0,0,0|2,0,0]=4 10576 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100000185761_100009815848 [0,2,0,0,0,0|2,0,0]=4 10577 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185761 [0,2,0,0,0,0|2,0,0]=4 10578 B13R1.14 O=C(CF)CCc1ccc(cc1)Br 1458a_100000217147_100015361967 [0,2,0,0,0,0|1,0,1]=4 10579 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [0,2,0,0,0,0|1,0,1]=4 10580 B13R1.14 O=C(CF)CCc1ccc(cc1)F 1458a_100000198493_100015361967 [0,2,0,0,0,0|1,0,1]=4 10581 B13R1.14 O=C(CF)CCc1ccc(cc1)I 1458a_100011217499_100015361967 [0,2,0,0,0,0|1,0,1]=4 10582 B13R1.14 O=C(CF)CCc1ccc(cc1)O 1458a_100000742835_100015361967 [0,2,0,0,0,0|1,0,1]=4 10583 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,2,0,0,0,0|1,0,1]=4 10584 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,2,0,0,0,0|1,0,1]=4 10585 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,2,0,0,0,0|1,0,1]=4 10586 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,2,0,0,0,0|1,0,1]=4 10587 B13R1.14 OCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011219619 [0,2,0,0,0,0|2,0,0]=4 10588 B13R1.14 OCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011219619 [0,2,0,0,0,0|2,0,0]=4 10589 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011219619 [0,2,0,0,0,0|2,0,0]=4 10590 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011219619 [0,2,0,0,0,0|2,0,0]=4 10591 B13R1.14 OCC(O)CNc1ccc(cc1)F 34a_100000185862_100011219619 [0,2,0,0,0,0|2,0,0]=4 10592 B13R1.14 OCC(O)CNc1ccc(cc1)I 34a_100000185761_100011219619 [0,2,0,0,0,0|2,0,0]=4 10593 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,2,0,0,0,0|2,0,0]=4 10594 B13R1.14 OCC(O)COc1ccc(cc1)Br 34a_100000185759_100011219619 [0,2,0,0,0,0|2,0,0]=4 10595 B13R1.14 OCC(O)COc1ccc(cc1)Br 7a_100000185759_100011219619 [0,2,0,0,0,0|2,0,0]=4 10596 B13R1.14 OCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011219619 [0,2,0,0,0,0|2,0,0]=4 10597 B13R1.14 OCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011219619 [0,2,0,0,0,0|2,0,0]=4 10598 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [0,2,0,0,0,0|2,0,0]=4 10599 B13R1.14 OCC(O)COc1ccc(cc1)I 34a_100000212066_100011219619 [0,2,0,0,0,0|2,0,0]=4 10600 B13R1.14 OCC(O)COc1ccc(cc1)I 7a_100000212066_100011219619 [0,2,0,0,0,0|2,0,0]=4 10601 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011219619 [0,2,0,0,0,0|2,0,0]=4 10602 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100011219619_100000752885 [0,2,0,0,0,0|2,0,0]=4 10603 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011219619 [0,2,0,0,0,0|2,0,0]=4 10604 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100011219619_100000755918 [0,2,0,0,0,0|2,0,0]=4 10605 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100000211213_100011219619 [0,2,0,0,0,0|2,0,0]=4 10606 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100011219619_100000211213 [0,2,0,0,0,0|2,0,0]=4 10607 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,2,0,0,0,0|2,0,0]=4 10608 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009815848 [0,2,0,0,0,0|2,0,0]=4 10609 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009815848 [0,2,0,0,0,0|2,0,0]=4 10610 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009815848 [0,2,0,0,0,0|2,0,0]=4 10611 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009815848 [0,2,0,0,0,0|2,0,0]=4 10612 B13R1.14 OC[C@H](O)CNc1ccc(cc1)F 34a_100000185862_100009815848 [0,2,0,0,0,0|2,0,0]=4 10613 B13R1.14 OC[C@H](O)CNc1ccc(cc1)I 34a_100000185761_100009815848 [0,2,0,0,0,0|2,0,0]=4 10614 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,2,0,0,0,0|2,0,0]=4 10615 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 34a_100000185759_100009815848 [0,2,0,0,0,0|2,0,0]=4 10616 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100009815848 [0,2,0,0,0,0|2,0,0]=4 10617 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009815848 [0,2,0,0,0,0|2,0,0]=4 10618 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009815848 [0,2,0,0,0,0|2,0,0]=4 10619 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [0,2,0,0,0,0|2,0,0]=4 10620 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 34a_100000212066_100009815848 [0,2,0,0,0,0|2,0,0]=4 10621 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100009815848 [0,2,0,0,0,0|2,0,0]=4 10622 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009815848 [0,2,0,0,0,0|2,0,0]=4 10623 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100009815848_100000752885 [0,2,0,0,0,0|2,0,0]=4 10624 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009815848 [0,2,0,0,0,0|2,0,0]=4 10625 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100009815848_100000755918 [0,2,0,0,0,0|2,0,0]=4 10626 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100000211213_100009815848 [0,2,0,0,0,0|2,0,0]=4 10627 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100009815848_100000211213 [0,2,0,0,0,0|2,0,0]=4 10628 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,2,0,0,0,0|2,0,0]=4 10629 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 2230a_100000210018_100015614560 [0,2,0,0,0,0|2,0,0]=4 10630 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 34a_100000210018_100015614560 [0,2,0,0,0,0|2,0,0]=4 10631 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 2230a_100000210052_100015614560 [0,2,0,0,0,0|2,0,0]=4 10632 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 34a_100000210052_100015614560 [0,2,0,0,0,0|2,0,0]=4 10633 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)F 34a_100000185862_100015614560 [0,2,0,0,0,0|2,0,0]=4 10634 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)I 34a_100000185761_100015614560 [0,2,0,0,0,0|2,0,0]=4 10635 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 34a_100000185759_100015614560 [0,2,0,0,0,0|2,0,0]=4 10636 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 7a_100000185759_100015614560 [0,2,0,0,0,0|2,0,0]=4 10637 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 34a_100000210216_100015614560 [0,2,0,0,0,0|2,0,0]=4 10638 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 7a_100000210216_100015614560 [0,2,0,0,0,0|2,0,0]=4 10639 B13R1.14 O[C@@H](CF)COc1ccc(cc1)F 34a_100000210339_100015614560 [0,2,0,0,0,0|2,0,0]=4 10640 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 34a_100000212066_100015614560 [0,2,0,0,0,0|2,0,0]=4 10641 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 7a_100000212066_100015614560 [0,2,0,0,0,0|2,0,0]=4 10642 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100000752885_100015614560 [0,2,0,0,0,0|2,0,0]=4 10643 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100015614560_100000752885 [0,2,0,0,0,0|2,0,0]=4 10644 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100000755918_100015614560 [0,2,0,0,0,0|2,0,0]=4 10645 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100015614560_100000755918 [0,2,0,0,0,0|2,0,0]=4 10646 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100000211213_100015614560 [0,2,0,0,0,0|2,0,0]=4 10647 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100015614560_100000211213 [0,2,0,0,0,0|2,0,0]=4 10648 B13R1.14 Oc1ccc(cc1)NC[C@@H](O)CF 34a_100000185829_100015614560 [0,2,0,0,0,0|2,0,0]=4 10649 B13R1.14 Oc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185759 [0,2,0,0,0,0|2,0,0]=4 10650 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [0,2,0,0,0,0|1,0,1]=4 10651 B13R1.17 CC(CNCF)c1ccc(cc1)O 34a_200015188644_100015361967 [0,2,0,0,0,0|2,0,0]=4 10652 B13R1.17 CC(NCCF)c1ccc(cc1)Br 269862a_100000724931_100000185794 [0,2,0,0,0,0|2,0,0]=4 10653 B13R1.17 CC(NCCF)c1ccc(cc1)Br 34a_100000724931_100000755118 [0,2,0,0,0,0|2,0,0]=4 10654 B13R1.17 CC(NCCF)c1ccc(cc1)Cl 269862a_100000724931_100000185797 [0,2,0,0,0,0|2,0,0]=4 10655 B13R1.17 CC(NCCF)c1ccc(cc1)F 269862a_100000724931_100000185800 [0,2,0,0,0,0|2,0,0]=4 10656 B13R1.17 CC(NCCF)c1ccc(cc1)F 34a_100000724931_100000743420 [0,2,0,0,0,0|2,0,0]=4 10657 B13R1.17 CC(NCCF)c1ccc(cc1)I 269862a_100000724931_100000185465 [0,2,0,0,0,0|2,0,0]=4 10658 B13R1.17 CC(NCCO)c1ccc(cc1)Br 2230a_100016997473_100000755118 [0,2,0,0,0,0|2,0,0]=4 10659 B13R1.17 CC(NCCO)c1ccc(cc1)Br 269862a_100000210304_100000185794 [0,2,0,0,0,0|2,0,0]=4 10660 B13R1.17 CC(NCCO)c1ccc(cc1)Br 34a_100016990907_100000755118 [0,2,0,0,0,0|2,0,0]=4 10661 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 2230a_100016997473_100000684792 [0,2,0,0,0,0|2,0,0]=4 10662 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000185797 [0,2,0,0,0,0|2,0,0]=4 10663 B13R1.17 CC(NCCO)c1ccc(cc1)F 2230a_100016997473_100000743420 [0,2,0,0,0,0|2,0,0]=4 10664 B13R1.17 CC(NCCO)c1ccc(cc1)F 269862a_100000210304_100000185800 [0,2,0,0,0,0|2,0,0]=4 10665 B13R1.17 CC(NCCO)c1ccc(cc1)F 34a_100016990907_100000743420 [0,2,0,0,0,0|2,0,0]=4 10666 B13R1.17 CC(NCCO)c1ccc(cc1)I 269862a_100000210304_100000185465 [0,2,0,0,0,0|2,0,0]=4 10667 B13R1.17 CC(OCCBr)c1ccc(cc1)Br 34a_100000211926_100000755118 [0,2,0,0,0,0|2,0,0]=4 10668 B13R1.17 CC(OCCBr)c1ccc(cc1)F 34a_100000211926_100000743420 [0,2,0,0,0,0|2,0,0]=4 10669 B13R1.17 CC(OCCF)c1ccc(cc1)Br 34a_100000745893_100011217306 [0,2,0,0,0,0|2,0,0]=4 10670 B13R1.17 CC(OCCF)c1ccc(cc1)Br 7a_100000745893_100011217306 [0,2,0,0,0,0|2,0,0]=4 10671 B13R1.17 CC(OCCF)c1ccc(cc1)F 34a_100000181323_100011217306 [0,2,0,0,0,0|2,0,0]=4 10672 B13R1.17 CC(OCCF)c1ccc(cc1)F 7a_100000181323_100011217306 [0,2,0,0,0,0|2,0,0]=4 10673 B13R1.17 CC(OCCF)c1ccc(cc1)N 34a_100011216399_100011217306 [0,2,0,0,0,0|2,0,0]=4 10674 B13R1.17 CC(OCCN)c1ccc(cc1)Br 34a_100000210304_100000755118 [0,2,0,0,0,0|1,0,0]=3 10675 B13R1.17 CC(OCCN)c1ccc(cc1)F 34a_100000210304_100000743420 [0,2,0,0,0,0|1,0,0]=3 10676 B13R1.17 CC(OCCO)c1ccc(cc1)Br 34a_100000745893_100000211926 [0,2,0,0,0,0|2,0,0]=4 10677 B13R1.17 CC(OCCO)c1ccc(cc1)Br 7a_100000745893_100000211926 [0,2,0,0,0,0|2,0,0]=4 10678 B13R1.17 CC(OCCO)c1ccc(cc1)F 34a_100000181323_100000211926 [0,2,0,0,0,0|2,0,0]=4 10679 B13R1.17 CC(OCCO)c1ccc(cc1)F 7a_100000181323_100000211926 [0,2,0,0,0,0|2,0,0]=4 10680 B13R1.17 CC(OCCO)c1ccc(cc1)N 34a_100011216399_100000211926 [0,2,0,0,0,0|2,0,0]=4 10681 B13R1.17 CC(SCCF)c1ccc(cc1)Br 62a_100000755118_100011217306 [0,2,0,0,0,0|2,0,0]=4 10682 B13R1.17 CC(SCCF)c1ccc(cc1)Br 62a_100011217306_100000755118 [0,2,0,0,0,0|2,0,0]=4 10683 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100000684792_100011217306 [0,2,0,0,0,0|2,0,0]=4 10684 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100011217306_100000684792 [0,2,0,0,0,0|2,0,0]=4 10685 B13R1.17 CC(SCCF)c1ccc(cc1)F 62a_100000743420_100011217306 [0,2,0,0,0,0|2,0,0]=4 10686 B13R1.17 CC(SCCF)c1ccc(cc1)F 62a_100011217306_100000743420 [0,2,0,0,0,0|2,0,0]=4 10687 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000211926_100000755118 [0,2,0,0,0,0|2,0,0]=4 10688 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000755118_100000211926 [0,2,0,0,0,0|2,0,0]=4 10689 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000211926_100000684792 [0,2,0,0,0,0|2,0,0]=4 10690 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000684792_100000211926 [0,2,0,0,0,0|2,0,0]=4 10691 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000211926_100000743420 [0,2,0,0,0,0|2,0,0]=4 10692 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000743420_100000211926 [0,2,0,0,0,0|2,0,0]=4 10693 B13R1.17 CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210211 [0,2,0,0,0,0|1,0,1]=4 10694 B13R1.17 CCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210211 [0,2,0,0,0,0|1,0,1]=4 10695 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210211 [0,2,0,0,0,0|1,0,1]=4 10696 B13R1.17 CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210211 [0,2,0,0,0,0|1,0,1]=4 10697 B13R1.17 CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210211 [0,2,0,0,0,0|1,0,1]=4 10698 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [0,2,0,0,0,0|1,0,1]=4 10699 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [0,2,0,0,0,0|1,0,1]=4 10700 B13R1.17 CCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210211 [0,2,0,0,0,0|2,0,0]=4 10701 B13R1.17 CCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210211 [0,2,0,0,0,0|2,0,0]=4 10702 B13R1.17 CCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210210 [0,2,0,0,0,0|2,0,0]=4 10703 B13R1.17 CCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210211 [0,2,0,0,0,0|2,0,0]=4 10704 B13R1.17 CCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210211 [0,2,0,0,0,0|2,0,0]=4 10705 B13R1.17 CCCCN(C)c1ccc(cc1)C 34a_100000219977_100000210210 [0,2,0,0,0,0|2,0,0]=4 10706 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 10707 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 10708 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210210 [0,2,0,0,0,0|2,0,0]=4 10709 B13R1.17 CCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210211 [0,2,0,0,0,0|2,0,0]=4 10710 B13R1.17 CCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210211 [0,2,0,0,0,0|2,0,0]=4 10711 B13R1.17 CCCCN(C)c1ccc(cc1)F 34a_100000219829_100000210210 [0,2,0,0,0,0|2,0,0]=4 10712 B13R1.17 CCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210211 [0,2,0,0,0,0|2,0,0]=4 10713 B13R1.17 CCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210211 [0,2,0,0,0,0|2,0,0]=4 10714 B13R1.17 CCCCN(C)c1ccc(cc1)I 34a_100000743151_100000210210 [0,2,0,0,0,0|2,0,0]=4 10715 B13R1.17 CCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210211 [0,2,0,0,0,0|2,0,0]=4 10716 B13R1.17 CCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210210 [0,2,0,0,0,0|2,0,0]=4 10717 B13R1.17 CCCCS(=O)c1ccc(cc1)O 271570a_203496583355_100016336038 [0,2,0,0,0,0|2,0,0]=4 10718 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,2,0,0,0,0|2,0,0]=4 10719 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,2,0,0,0,0|2,0,0]=4 10720 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,2,0,0,0,0|2,0,0]=4 10721 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,2,0,0,0,0|2,0,0]=4 10722 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,2,0,0,0,0|2,0,0]=4 10723 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,2,0,0,0,0|2,0,0]=4 10724 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,2,0,0,0,0|2,0,0]=4 10725 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,2,0,0,0,0|2,0,0]=4 10726 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,2,0,0,0,0|2,0,0]=4 10727 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,2,0,0,0,0|2,0,0]=4 10728 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,2,0,0,0,0|2,0,0]=4 10729 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,2,0,0,0,0|2,0,0]=4 10730 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 10731 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 10732 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,2,0,0,0,0|2,0,0]=4 10733 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,2,0,0,0,0|2,0,0]=4 10734 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,2,0,0,0,0|2,0,0]=4 10735 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,2,0,0,0,0|2,0,0]=4 10736 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,2,0,0,0,0|2,0,0]=4 10737 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,2,0,0,0,0|2,0,0]=4 10738 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,2,0,0,0,0|2,0,0]=4 10739 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,2,0,0,0,0|2,0,0]=4 10740 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,2,0,0,0,0|2,0,0]=4 10741 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,2,0,0,0,0|2,0,0]=4 10742 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 10743 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 10744 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,2,0,0,0,0|2,0,0]=4 10745 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,2,0,0,0,0|2,0,0]=4 10746 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,2,0,0,0,0|2,0,0]=4 10747 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,2,0,0,0,0|2,0,0]=4 10748 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,2,0,0,0,0|2,0,0]=4 10749 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,2,0,0,0,0|2,0,0]=4 10750 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,2,0,0,0,0|2,0,0]=4 10751 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,2,0,0,0,0|2,0,0]=4 10752 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [0,2,0,0,0,0|2,0,0]=4 10753 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [0,2,0,0,0,0|2,0,0]=4 10754 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,2,0,0,0,0|2,0,0]=4 10755 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [0,2,0,0,0,0|2,0,0]=4 10756 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [0,2,0,0,0,0|2,0,0]=4 10757 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 10758 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [0,2,0,0,0,0|2,0,0]=4 10759 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 10760 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [0,2,0,0,0,0|2,0,0]=4 10761 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [0,2,0,0,0,0|2,0,0]=4 10762 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 10763 B13R1.17 CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 10764 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,2,0,0,0,0|2,0,0]=4 10765 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 10766 B13R1.17 CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 10767 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [0,2,0,0,0,0|2,0,0]=4 10768 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [0,2,0,0,0,0|2,0,0]=4 10769 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 10770 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [0,2,0,0,0,0|2,0,0]=4 10771 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [0,2,0,0,0,0|2,0,0]=4 10772 B13R1.17 CN(CCCF)c1ccc(cc1)Br 2230a_100000219623_100011934791 [0,2,0,0,0,0|2,0,0]=4 10773 B13R1.17 CN(CCCF)c1ccc(cc1)Br 269982a_100000219623_100011934791 [0,2,0,0,0,0|2,0,0]=4 10774 B13R1.17 CN(CCCF)c1ccc(cc1)Br 34a_100000219623_100011934791 [0,2,0,0,0,0|2,0,0]=4 10775 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 2230a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 10776 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 269982a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 10777 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 34a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 10778 B13R1.17 CN(CCCF)c1ccc(cc1)F 2230a_100000219829_100011934791 [0,2,0,0,0,0|2,0,0]=4 10779 B13R1.17 CN(CCCF)c1ccc(cc1)F 269982a_100000219829_100011934791 [0,2,0,0,0,0|2,0,0]=4 10780 B13R1.17 CN(CCCF)c1ccc(cc1)F 34a_100000219829_100011934791 [0,2,0,0,0,0|2,0,0]=4 10781 B13R1.17 CN(CCCF)c1ccc(cc1)I 2230a_100000743151_100011934791 [0,2,0,0,0,0|2,0,0]=4 10782 B13R1.17 CN(CCCF)c1ccc(cc1)I 269982a_100000743151_100011934791 [0,2,0,0,0,0|2,0,0]=4 10783 B13R1.17 CN(CCCF)c1ccc(cc1)I 34a_100000743151_100011934791 [0,2,0,0,0,0|2,0,0]=4 10784 B13R1.17 CN(CCCF)c1ccc(cc1)O 269982a_100000182112_100011934791 [0,2,0,0,0,0|2,0,0]=4 10785 B13R1.17 CN(CCCF)c1ccc(cc1)O 34a_100000182112_100011934791 [0,2,0,0,0,0|2,0,0]=4 10786 B13R1.17 CN(CCCO)c1ccc(cc1)Br 2230a_100000219623_100000230001 [0,2,0,0,0,0|2,0,0]=4 10787 B13R1.17 CN(CCCO)c1ccc(cc1)Br 269982a_100000219623_100011215043 [0,2,0,0,0,0|2,0,0]=4 10788 B13R1.17 CN(CCCO)c1ccc(cc1)Br 34a_100000219623_100000230001 [0,2,0,0,0,0|2,0,0]=4 10789 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 2230a_100020629279_100000230001 [0,2,0,0,0,0|2,0,0]=4 10790 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 269982a_100020629279_100011215043 [0,2,0,0,0,0|2,0,0]=4 10791 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 34a_100020629279_100000230001 [0,2,0,0,0,0|2,0,0]=4 10792 B13R1.17 CN(CCCO)c1ccc(cc1)F 2230a_100000219829_100000230001 [0,2,0,0,0,0|2,0,0]=4 10793 B13R1.17 CN(CCCO)c1ccc(cc1)F 269982a_100000219829_100011215043 [0,2,0,0,0,0|2,0,0]=4 10794 B13R1.17 CN(CCCO)c1ccc(cc1)F 34a_100000219829_100000230001 [0,2,0,0,0,0|2,0,0]=4 10795 B13R1.17 CN(CCCO)c1ccc(cc1)I 2230a_100000743151_100000230001 [0,2,0,0,0,0|2,0,0]=4 10796 B13R1.17 CN(CCCO)c1ccc(cc1)I 269982a_100000743151_100011215043 [0,2,0,0,0,0|2,0,0]=4 10797 B13R1.17 CN(CCCO)c1ccc(cc1)I 34a_100000743151_100000230001 [0,2,0,0,0,0|2,0,0]=4 10798 B13R1.17 CN(CCCO)c1ccc(cc1)O 269982a_100000182112_100011215043 [0,2,0,0,0,0|2,0,0]=4 10799 B13R1.17 CN(CCCO)c1ccc(cc1)O 34a_100000182112_100000230001 [0,2,0,0,0,0|2,0,0]=4 10800 B13R1.17 COCCC(N)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 10801 B13R1.17 COCCC(N)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 10802 B13R1.17 COCCC(N)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 10803 B13R1.17 COCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 10804 B13R1.17 COCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200000210301 [0,2,0,0,0,0|2,0,0]=4 10805 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Br 2230a_100000720352_100011217306 [0,2,0,0,0,0|2,0,0]=4 10806 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 2230a_100015205461_100011217306 [0,2,0,0,0,0|2,0,0]=4 10807 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 34a_100015205461_100011217306 [0,2,0,0,0,0|2,0,0]=4 10808 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Br 2230a_100000720352_100000211926 [0,2,0,0,0,0|2,0,0]=4 10809 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 2230a_100015205461_100000211926 [0,2,0,0,0,0|2,0,0]=4 10810 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 34a_100015205461_100000211926 [0,2,0,0,0,0|2,0,0]=4 10811 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 2230a_100025705893_100011217306 [0,2,0,0,0,0|2,0,0]=4 10812 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 34a_100025705893_100011217306 [0,2,0,0,0,0|2,0,0]=4 10813 B13R1.17 C[C@H](NCCF)c1ccc(cc1)I 2230a_100000753911_100011217306 [0,2,0,0,0,0|2,0,0]=4 10814 B13R1.17 C[C@H](NCCF)c1ccc(cc1)O 2230a_100161106496_100011217306 [0,2,0,0,0,0|2,0,0]=4 10815 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 2230a_100025705893_100000211926 [0,2,0,0,0,0|2,0,0]=4 10816 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 34a_100025705893_100000211926 [0,2,0,0,0,0|2,0,0]=4 10817 B13R1.17 C[C@H](NCCO)c1ccc(cc1)I 2230a_100000753911_100000211926 [0,2,0,0,0,0|2,0,0]=4 10818 B13R1.17 C[C@H](NCCO)c1ccc(cc1)O 2230a_100161106496_100000211926 [0,2,0,0,0,0|2,0,0]=4 10819 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 34a_100011852131_100011217306 [0,2,0,0,0,0|2,0,0]=4 10820 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 7a_100011852131_100011217306 [0,2,0,0,0,0|2,0,0]=4 10821 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [0,2,0,0,0,0|2,0,0]=4 10822 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [0,2,0,0,0,0|2,0,0]=4 10823 B13R1.17 Cc1ccc(cc1)C(=O)CCCF 1458a_100000188618_100011934791 [0,2,0,0,0,0|1,0,1]=4 10824 B13R1.17 Cc1ccc(cc1)C(=O)CCCO 1458a_100000188618_100011215043 [0,2,0,0,0,0|1,0,1]=4 10825 B13R1.17 Cc1ccc(cc1)C(C)NCCF 269862a_100000724931_100000185793 [0,2,0,0,0,0|2,0,0]=4 10826 B13R1.17 Cc1ccc(cc1)C(C)NCCF 34a_100000724931_100011261388 [0,2,0,0,0,0|2,0,0]=4 10827 B13R1.17 Cc1ccc(cc1)C(C)NCCO 2230a_100016997473_100011261388 [0,2,0,0,0,0|2,0,0]=4 10828 B13R1.17 Cc1ccc(cc1)C(C)NCCO 269862a_100000210304_100000185793 [0,2,0,0,0,0|2,0,0]=4 10829 B13R1.17 Cc1ccc(cc1)C(C)NCCO 34a_100016990907_100011261388 [0,2,0,0,0,0|2,0,0]=4 10830 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,2,0,0,0,0|2,0,0]=4 10831 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,2,0,0,0,0|1,0,0]=3 10832 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011217306_100011261388 [0,2,0,0,0,0|2,0,0]=4 10833 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011261388_100011217306 [0,2,0,0,0,0|2,0,0]=4 10834 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100000211926_100011261388 [0,2,0,0,0,0|2,0,0]=4 10835 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100011261388_100000211926 [0,2,0,0,0,0|2,0,0]=4 10836 B13R1.17 Cc1ccc(cc1)C(N)CCO[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 10837 B13R1.17 Cc1ccc(cc1)C(O)CNCF 34a_200020610344_100015361967 [0,2,0,0,0,0|2,0,0]=4 10838 B13R1.17 Cc1ccc(cc1)N(C)CCCF 2230a_100000219977_100011934791 [0,2,0,0,0,0|2,0,0]=4 10839 B13R1.17 Cc1ccc(cc1)N(C)CCCF 269982a_100000219977_100011934791 [0,2,0,0,0,0|2,0,0]=4 10840 B13R1.17 Cc1ccc(cc1)N(C)CCCF 34a_100000219977_100011934791 [0,2,0,0,0,0|2,0,0]=4 10841 B13R1.17 Cc1ccc(cc1)N(C)CCCO 2230a_100000219977_100000230001 [0,2,0,0,0,0|2,0,0]=4 10842 B13R1.17 Cc1ccc(cc1)N(C)CCCO 269982a_100000219977_100011215043 [0,2,0,0,0,0|2,0,0]=4 10843 B13R1.17 Cc1ccc(cc1)N(C)CCCO 34a_100000219977_100000230001 [0,2,0,0,0,0|2,0,0]=4 10844 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 2230a_100016988085_100011217306 [0,2,0,0,0,0|2,0,0]=4 10845 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 34a_100016988085_100011217306 [0,2,0,0,0,0|2,0,0]=4 10846 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 2230a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 10847 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 34a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 10848 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,2,0,0,0,0|2,0,0]=4 10849 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,2,0,0,0,0|2,0,0]=4 10850 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,2,0,0,0,0|2,0,0]=4 10851 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,2,0,0,0,0|2,0,0]=4 10852 B13R1.17 Cc1ccc(cc1)[C@@H](N)COCF 34a_100009818840_100015361967 [0,2,0,0,0,0|2,0,0]=4 10853 B13R1.17 NC(COCF)c1ccc(cc1)Br 34a_100000734186_100015361967 [0,2,0,0,0,0|2,0,0]=4 10854 B13R1.17 NC(COCF)c1ccc(cc1)F 34a_100000705410_100015361967 [0,2,0,0,0,0|2,0,0]=4 10855 B13R1.17 N[C@H](COCF)c1ccc(cc1)Cl 34a_100009818818_100015361967 [0,2,0,0,0,0|2,0,0]=4 10856 B13R1.17 O=C(CCCF)c1ccc(cc1)Br 1458a_100000185839_100011934791 [0,2,0,0,0,0|1,0,1]=4 10857 B13R1.17 O=C(CCCF)c1ccc(cc1)Cl 1458a_100000210187_100011934791 [0,2,0,0,0,0|1,0,1]=4 10858 B13R1.17 O=C(CCCF)c1ccc(cc1)F 1458a_100000187176_100011934791 [0,2,0,0,0,0|1,0,1]=4 10859 B13R1.17 O=C(CCCF)c1ccc(cc1)I 1458a_100000187904_100011934791 [0,2,0,0,0,0|1,0,1]=4 10860 B13R1.17 O=C(CCCF)c1ccc(cc1)O 1458a_100000212099_100011934791 [0,2,0,0,0,0|1,0,1]=4 10861 B13R1.17 O=C(CCCO)c1ccc(cc1)Br 1458a_100000185839_100011215043 [0,2,0,0,0,0|1,0,1]=4 10862 B13R1.17 O=C(CCCO)c1ccc(cc1)Cl 1458a_100000210187_100011215043 [0,2,0,0,0,0|1,0,1]=4 10863 B13R1.17 O=C(CCCO)c1ccc(cc1)F 1458a_100000187176_100011215043 [0,2,0,0,0,0|1,0,1]=4 10864 B13R1.17 O=C(CCCO)c1ccc(cc1)I 1458a_100000187904_100011215043 [0,2,0,0,0,0|1,0,1]=4 10865 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [0,2,0,0,0,0|1,0,1]=4 10866 B13R1.17 OC(CNCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [0,2,0,0,0,0|2,0,0]=4 10867 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [0,2,0,0,0,0|2,0,0]=4 10868 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_100015361967_200011996143 [0,2,0,0,0,0|2,0,0]=4 10869 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_200011996143_100015361967 [0,2,0,0,0,0|2,0,0]=4 10870 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100000720402_100015361967 [0,2,0,0,0,0|2,0,0]=4 10871 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100015361967_100000720402 [0,2,0,0,0,0|2,0,0]=4 10872 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [0,2,0,0,0,0|2,0,0]=4 10873 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 10874 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 10875 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 10876 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200025704644 [0,2,0,0,0,0|2,0,0]=4 10877 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 10878 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 10879 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 34a_217856618577_100011217306 [0,2,0,0,0,0|2,0,0]=4 10880 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 7a_217856618577_100011217306 [0,2,0,0,0,0|2,0,0]=4 10881 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 34a_217856618577_100000211926 [0,2,0,0,0,0|2,0,0]=4 10882 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 7a_217856618577_100000211926 [0,2,0,0,0,0|2,0,0]=4 10883 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 2230a_100000210018_100009893172 [0,2,0,0,0,0|2,0,0]=4 10884 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 34a_100000210018_100009893172 [0,2,0,0,0,0|2,0,0]=4 10885 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 2230a_100000210052_100009893172 [0,2,0,0,0,0|2,0,0]=4 10886 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 34a_100000210052_100009893172 [0,2,0,0,0,0|2,0,0]=4 10887 B13R1.19 CC(CCO)Nc1ccc(cc1)F 34a_100000185862_100009893172 [0,2,0,0,0,0|2,0,0]=4 10888 B13R1.19 CC(CCO)Nc1ccc(cc1)I 34a_100000185761_100009893172 [0,2,0,0,0,0|2,0,0]=4 10889 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [0,2,0,0,0,0|2,0,0]=4 10890 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 34a_100000185759_100009893172 [0,2,0,0,0,0|2,0,0]=4 10891 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 7a_100000185759_100009893172 [0,2,0,0,0,0|2,0,0]=4 10892 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 34a_100000210216_100009893172 [0,2,0,0,0,0|2,0,0]=4 10893 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 7a_100000210216_100009893172 [0,2,0,0,0,0|2,0,0]=4 10894 B13R1.19 CC(CCO)Oc1ccc(cc1)F 34a_100000210339_100009893172 [0,2,0,0,0,0|2,0,0]=4 10895 B13R1.19 CC(CCO)Oc1ccc(cc1)I 34a_100000212066_100009893172 [0,2,0,0,0,0|2,0,0]=4 10896 B13R1.19 CC(CCO)Oc1ccc(cc1)I 7a_100000212066_100009893172 [0,2,0,0,0,0|2,0,0]=4 10897 B13R1.19 CC(CCO)Oc1ccc(cc1)N 34a_100000185829_100009893172 [0,2,0,0,0,0|2,0,0]=4 10898 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100000752885_100009893172 [0,2,0,0,0,0|2,0,0]=4 10899 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100009893172_100000752885 [0,2,0,0,0,0|2,0,0]=4 10900 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100000755918_100009893172 [0,2,0,0,0,0|2,0,0]=4 10901 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100009893172_100000755918 [0,2,0,0,0,0|2,0,0]=4 10902 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100000211213_100009893172 [0,2,0,0,0,0|2,0,0]=4 10903 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100009893172_100000211213 [0,2,0,0,0,0|2,0,0]=4 10904 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100000185761_100009893172 [0,2,0,0,0,0|2,0,0]=4 10905 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100009893172_100000185761 [0,2,0,0,0,0|2,0,0]=4 10906 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [0,2,0,0,0,0|2,0,0]=4 10907 B13R1.19 CC(Cc1ccc(cc1)F)OCF 34a_100011351027_100015361967 [0,2,0,0,0,0|2,0,0]=4 10908 B13R1.19 CC(Cc1ccc(cc1)F)OCF 7a_100011351027_100015361967 [0,2,0,0,0,0|2,0,0]=4 10909 B13R1.19 CC(Cc1ccc(cc1)O)NCF 34a_100102634573_100015361967 [0,2,0,0,0,0|2,0,0]=4 10910 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210303 [0,2,0,0,0,0|1,0,1]=4 10911 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000211992_100000189115 [0,2,0,0,0,0|1,0,1]=4 10912 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000211992_100000210814 [0,2,0,0,0,0|1,0,1]=4 10913 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210303 [0,2,0,0,0,0|1,0,1]=4 10914 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210303 [0,2,0,0,0,0|1,0,1]=4 10915 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211992_100000694040 [0,2,0,0,0,0|1,0,1]=4 10916 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210303 [0,2,0,0,0,0|1,0,1]=4 10917 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000211992_100000198546 [0,2,0,0,0,0|1,0,1]=4 10918 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000211992_100000189116 [0,2,0,0,0,0|1,0,1]=4 10919 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210303 [0,2,0,0,0,0|1,0,1]=4 10920 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [0,2,0,0,0,0|1,0,1]=4 10921 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000766640 [0,2,0,0,0,0|2,0,0]=4 10922 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000766640 [0,2,0,0,0,0|2,0,0]=4 10923 B13R1.19 CCCC(C)Nc1ccc(cc1)C 34a_100000124888_100000766640 [0,2,0,0,0,0|2,0,0]=4 10924 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 10925 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 10926 B13R1.19 CCCC(C)Nc1ccc(cc1)F 34a_100000185862_100000766640 [0,2,0,0,0,0|2,0,0]=4 10927 B13R1.19 CCCC(C)Nc1ccc(cc1)I 34a_100000185761_100000766640 [0,2,0,0,0,0|2,0,0]=4 10928 B13R1.19 CCCC(C)Nc1ccc(cc1)O 34a_100000185829_100000766640 [0,2,0,0,0,0|2,0,0]=4 10929 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [0,2,0,0,0,0|2,0,0]=4 10930 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [0,2,0,0,0,0|2,0,0]=4 10931 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 10932 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 10933 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [0,2,0,0,0,0|2,0,0]=4 10934 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [0,2,0,0,0,0|2,0,0]=4 10935 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [0,2,0,0,0,0|2,0,0]=4 10936 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [0,2,0,0,0,0|2,0,0]=4 10937 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [0,2,0,0,0,0|2,0,0]=4 10938 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [0,2,0,0,0,0|2,0,0]=4 10939 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000766640 [0,2,0,0,0,0|2,0,0]=4 10940 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000766640_100000752885 [0,2,0,0,0,0|2,0,0]=4 10941 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000186775_100000766640 [0,2,0,0,0,0|2,0,0]=4 10942 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000766640_100000186775 [0,2,0,0,0,0|2,0,0]=4 10943 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [0,2,0,0,0,0|2,0,0]=4 10944 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [0,2,0,0,0,0|2,0,0]=4 10945 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000211213_100000766640 [0,2,0,0,0,0|2,0,0]=4 10946 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000766640_100000211213 [0,2,0,0,0,0|2,0,0]=4 10947 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000185761_100000766640 [0,2,0,0,0,0|2,0,0]=4 10948 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000766640_100000185761 [0,2,0,0,0,0|2,0,0]=4 10949 B13R1.19 CCCC(C)Sc1ccc(cc1)O 62a_100000766640_100000185759 [0,2,0,0,0,0|2,0,0]=4 10950 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210303 [0,2,0,0,0,0|2,0,0]=4 10951 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000747261_100011217064 [0,2,0,0,0,0|2,0,0]=4 10952 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210303 [0,2,0,0,0,0|2,0,0]=4 10953 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000747261_100011217064 [0,2,0,0,0,0|2,0,0]=4 10954 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 26a_100000747261_100000185759 [0,2,0,0,0,0|2,0,0]=4 10955 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 270004a_100000747261_100000186029 [0,2,0,0,0,0|2,0,0]=4 10956 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 10957 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 10958 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000747261_100000210814 [0,2,0,0,0,0|2,0,0]=4 10959 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 10960 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 10961 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000747261_100000210814 [0,2,0,0,0,0|2,0,0]=4 10962 B13R1.19 CCCN(C)Cc1ccc(cc1)C 26a_100000747261_200020625495 [0,2,0,0,0,0|2,0,0]=4 10963 B13R1.19 CCCN(C)Cc1ccc(cc1)C 270004a_100000747261_100000211033 [0,2,0,0,0,0|2,0,0]=4 10964 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 10965 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 10966 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 10967 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000747261_100000694040 [0,2,0,0,0,0|2,0,0]=4 10968 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 10969 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 10970 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000747261_100000187161 [0,2,0,0,0,0|2,0,0]=4 10971 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 10972 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000189385 [0,2,0,0,0,0|2,0,0]=4 10973 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 10974 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 10975 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 10976 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 10977 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000747261_100000198546 [0,2,0,0,0,0|2,0,0]=4 10978 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 10979 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 10980 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000747261_100000198546 [0,2,0,0,0,0|2,0,0]=4 10981 B13R1.19 CCCN(C)Cc1ccc(cc1)F 270004a_100000747261_100000210084 [0,2,0,0,0,0|2,0,0]=4 10982 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 10983 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 10984 B13R1.19 CCCN(C)Cc1ccc(cc1)I 2230a_100000747261_100000189116 [0,2,0,0,0,0|2,0,0]=4 10985 B13R1.19 CCCN(C)Cc1ccc(cc1)I 269982a_100000747261_100000189116 [0,2,0,0,0,0|2,0,0]=4 10986 B13R1.19 CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210303 [0,2,0,0,0,0|2,0,0]=4 10987 B13R1.19 CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210303 [0,2,0,0,0,0|2,0,0]=4 10988 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 2230a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 10989 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 269982a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 10990 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 34a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 10991 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 10992 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 10993 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 34a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 10994 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 2230a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 10995 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 269982a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 10996 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 34a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 10997 B13R1.19 CCNC(C)Cc1ccc(cc1)Br 270004a_100015525214_100000691760 [0,2,0,0,0,0|2,0,0]=4 10998 B13R1.19 CCNC(C)Cc1ccc(cc1)C 270004a_100015525214_100000751045 [0,2,0,0,0,0|2,0,0]=4 10999 B13R1.19 CCNC(C)Cc1ccc(cc1)Cl 270004a_100015525214_100000747806 [0,2,0,0,0,0|2,0,0]=4 11000 B13R1.19 CCNC(C)Cc1ccc(cc1)F 270004a_100015525214_100000745281 [0,2,0,0,0,0|2,0,0]=4 11001 B13R1.19 CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210202 [0,2,0,0,0,0|2,0,0]=4 11002 B13R1.19 CCNC(C)Cc1ccc(cc1)O 270004a_100015525214_100011218180 [0,2,0,0,0,0|2,0,0]=4 11003 B13R1.19 CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210202 [0,2,0,0,0,0|2,0,0]=4 11004 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,2,0,0,0,0|2,0,0]=4 11005 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,2,0,0,0,0|2,0,0]=4 11006 B13R1.19 CN(CCF)Cc1ccc(cc1)Br 2230a_100000180866_100011217306 [0,2,0,0,0,0|2,0,0]=4 11007 B13R1.19 CN(CCF)Cc1ccc(cc1)Br 269982a_100000180866_100011217306 [0,2,0,0,0,0|2,0,0]=4 11008 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 2230a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 11009 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 269982a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 11010 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 34a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 11011 B13R1.19 CN(CCF)Cc1ccc(cc1)F 2230a_100000184576_100011217306 [0,2,0,0,0,0|2,0,0]=4 11012 B13R1.19 CN(CCF)Cc1ccc(cc1)F 269982a_100000184576_100011217306 [0,2,0,0,0,0|2,0,0]=4 11013 B13R1.19 CN(CCF)Cc1ccc(cc1)F 34a_100000184576_100011217306 [0,2,0,0,0,0|2,0,0]=4 11014 B13R1.19 CN(CCF)Cc1ccc(cc1)O 2230a_100000207500_100011217306 [0,2,0,0,0,0|2,0,0]=4 11015 B13R1.19 CN(CCF)Cc1ccc(cc1)O 269982a_100000207500_100011217306 [0,2,0,0,0,0|2,0,0]=4 11016 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000180866_100000211926 [0,2,0,0,0,0|2,0,0]=4 11017 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 11018 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000210263_100011217064 [0,2,0,0,0,0|2,0,0]=4 11019 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000180866_100000211926 [0,2,0,0,0,0|2,0,0]=4 11020 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 11021 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000210263_100011217064 [0,2,0,0,0,0|2,0,0]=4 11022 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 26a_100000210263_100000185759 [0,2,0,0,0,0|2,0,0]=4 11023 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 270004a_100000210263_100000186029 [0,2,0,0,0,0|2,0,0]=4 11024 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 34a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 11025 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 11026 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000210263_100000694040 [0,2,0,0,0,0|2,0,0]=4 11027 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 11028 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000210263_100000187161 [0,2,0,0,0,0|2,0,0]=4 11029 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 270004a_100000210263_100000189385 [0,2,0,0,0,0|2,0,0]=4 11030 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 34a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 11031 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 11032 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000210263_100000198546 [0,2,0,0,0,0|2,0,0]=4 11033 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 11034 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 11035 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000210263_100000198546 [0,2,0,0,0,0|2,0,0]=4 11036 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 11037 B13R1.19 CN(CCO)Cc1ccc(cc1)F 270004a_100000210263_100000210084 [0,2,0,0,0,0|2,0,0]=4 11038 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 11039 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 11040 B13R1.19 CN(CCO)Cc1ccc(cc1)I 2230a_100000210263_100000189116 [0,2,0,0,0,0|2,0,0]=4 11041 B13R1.19 CN(CCO)Cc1ccc(cc1)I 269982a_100000210263_100000189116 [0,2,0,0,0,0|2,0,0]=4 11042 B13R1.19 CN(CCO)Cc1ccc(cc1)O 2230a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 11043 B13R1.19 CN(CCO)Cc1ccc(cc1)O 269982a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 11044 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|2,0,0]=4 11045 B13R1.19 Cc1ccc(cc1)CC(=O)CCF 1458a_100000212244_100011217306 [0,2,0,0,0,0|1,0,1]=4 11046 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100000212244_100000211926 [0,2,0,0,0,0|1,0,1]=4 11047 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000210814 [0,2,0,0,0,0|1,0,1]=4 11048 B13R1.19 Cc1ccc(cc1)CN(C)CCF 2230a_100000744650_100011217306 [0,2,0,0,0,0|2,0,0]=4 11049 B13R1.19 Cc1ccc(cc1)CN(C)CCF 269982a_100000744650_100011217306 [0,2,0,0,0,0|2,0,0]=4 11050 B13R1.19 Cc1ccc(cc1)CN(C)CCF 34a_100000744650_100011217306 [0,2,0,0,0,0|2,0,0]=4 11051 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 11052 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 11053 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 11054 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 11055 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 11056 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 11057 B13R1.19 Cc1ccc(cc1)CN(C)CCO 26a_100000210263_200020625495 [0,2,0,0,0,0|2,0,0]=4 11058 B13R1.19 Cc1ccc(cc1)CN(C)CCO 270004a_100000210263_100000211033 [0,2,0,0,0,0|2,0,0]=4 11059 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 11060 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 11061 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 2230a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 11062 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 269982a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 11063 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 34a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 11064 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [0,2,0,0,0,0|2,0,0]=4 11065 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [0,2,0,0,0,0|2,0,0]=4 11066 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [0,2,0,0,0,0|2,0,0]=4 11067 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [0,2,0,0,0,0|2,0,0]=4 11068 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [0,2,0,0,0,0|2,0,0]=4 11069 B13R1.19 NCCC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000743120 [0,2,0,0,0,0|1,0,1]=4 11070 B13R1.19 O=C(CCF)Cc1ccc(cc1)Br 1458a_100000198978_100011217306 [0,2,0,0,0,0|1,0,1]=4 11071 B13R1.19 O=C(CCF)Cc1ccc(cc1)Cl 1458a_100000211027_100011217306 [0,2,0,0,0,0|1,0,1]=4 11072 B13R1.19 O=C(CCF)Cc1ccc(cc1)F 1458a_100000210951_100011217306 [0,2,0,0,0,0|1,0,1]=4 11073 B13R1.19 O=C(CCF)Cc1ccc(cc1)I 1458a_100000688869_100011217306 [0,2,0,0,0,0|1,0,1]=4 11074 B13R1.19 O=C(CCF)Cc1ccc(cc1)O 1458a_100000198540_100011217306 [0,2,0,0,0,0|1,0,1]=4 11075 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100000198978_100000211926 [0,2,0,0,0,0|1,0,1]=4 11076 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100011216618_100000189115 [0,2,0,0,0,0|1,0,1]=4 11077 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000211926 [0,2,0,0,0,0|1,0,1]=4 11078 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100011216618_100000694040 [0,2,0,0,0,0|1,0,1]=4 11079 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100000210951_100000211926 [0,2,0,0,0,0|1,0,1]=4 11080 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100011216618_100000198546 [0,2,0,0,0,0|1,0,1]=4 11081 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100000688869_100000211926 [0,2,0,0,0,0|1,0,1]=4 11082 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100011216618_100000189116 [0,2,0,0,0,0|1,0,1]=4 11083 B13R1.19 O=C(CCO)Cc1ccc(cc1)O 1458a_100000198540_100000211926 [0,2,0,0,0,0|1,0,1]=4 11084 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 11085 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 11086 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 34a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 11087 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 2230a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 11088 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 269982a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 11089 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 34a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 11090 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|2,0,0]=4 11091 B13R1.369 BrCCOCc1ccc(cc1Br)Br 34a_100000211926_200012351560 [0,2,0,0,0,0|2,0,0]=4 11092 B13R1.369 BrCCOCc1ccc(cc1Br)I 34a_100000211926_100010146610 [0,2,0,0,0,0|2,0,0]=4 11093 B13R1.369 BrCCOCc1ccc(cc1I)Br 34a_100000211926_100010146615 [0,2,0,0,0,0|2,0,0]=4 11094 B13R1.369 CCCCNc1ccc(cc1Br)Br 34a_100000211012_100000210210 [0,2,0,0,0,0|2,0,0]=4 11095 B13R1.369 CCCCNc1ccc(cc1Br)C 34a_100000210942_100000210210 [0,2,0,0,0,0|2,0,0]=4 11096 B13R1.369 CCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210210 [0,2,0,0,0,0|2,0,0]=4 11097 B13R1.369 CCCCNc1ccc(cc1Br)F 34a_100000738039_100000210210 [0,2,0,0,0,0|2,0,0]=4 11098 B13R1.369 CCCCNc1ccc(cc1Br)O 34a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 11099 B13R1.369 CCCCNc1ccc(cc1C)Br 34a_100000211769_100000210210 [0,2,0,0,0,0|2,0,0]=4 11100 B13R1.369 CCCCNc1ccc(cc1C)Br 7a_100000211769_100000210211 [0,2,0,0,0,0|2,0,0]=4 11101 B13R1.369 CCCCNc1ccc(cc1C)C 34a_100000736561_100000210210 [0,2,0,0,0,0|2,0,0]=4 11102 B13R1.369 CCCCNc1ccc(cc1C)C 7a_100000736561_100000210211 [0,2,0,0,0,0|2,0,0]=4 11103 B13R1.369 CCCCNc1ccc(cc1C)Cl 34a_100000210418_100000210210 [0,2,0,0,0,0|2,0,0]=4 11104 B13R1.369 CCCCNc1ccc(cc1C)Cl 7a_100000210418_100000210211 [0,2,0,0,0,0|2,0,0]=4 11105 B13R1.369 CCCCNc1ccc(cc1C)F 34a_100000211637_100000210210 [0,2,0,0,0,0|2,0,0]=4 11106 B13R1.369 CCCCNc1ccc(cc1C)F 7a_100000211637_100000210211 [0,2,0,0,0,0|2,0,0]=4 11107 B13R1.369 CCCCNc1ccc(cc1C)I 34a_100000184554_100000210210 [0,2,0,0,0,0|2,0,0]=4 11108 B13R1.369 CCCCNc1ccc(cc1C)I 7a_100000184554_100000210211 [0,2,0,0,0,0|2,0,0]=4 11109 B13R1.369 CCCCNc1ccc(cc1C)O 34a_100000756630_100000210210 [0,2,0,0,0,0|2,0,0]=4 11110 B13R1.369 CCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000210210 [0,2,0,0,0,0|2,0,0]=4 11111 B13R1.369 CCCCNc1ccc(cc1Cl)C 34a_100000210522_100000210210 [0,2,0,0,0,0|2,0,0]=4 11112 B13R1.369 CCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210210 [0,2,0,0,0,0|2,0,0]=4 11113 B13R1.369 CCCCNc1ccc(cc1Cl)F 34a_100000212003_100000210210 [0,2,0,0,0,0|2,0,0]=4 11114 B13R1.369 CCCCNc1ccc(cc1Cl)I 34a_100011218065_100000210210 [0,2,0,0,0,0|2,0,0]=4 11115 B13R1.369 CCCCNc1ccc(cc1Cl)O 34a_100011215599_100000210210 [0,2,0,0,0,0|2,0,0]=4 11116 B13R1.369 CCCCNc1ccc(cc1F)Br 34a_100000210722_100000210210 [0,2,0,0,0,0|2,0,0]=4 11117 B13R1.369 CCCCNc1ccc(cc1F)C 34a_100000211023_100000210210 [0,2,0,0,0,0|2,0,0]=4 11118 B13R1.369 CCCCNc1ccc(cc1F)Cl 34a_100000211020_100000210210 [0,2,0,0,0,0|2,0,0]=4 11119 B13R1.369 CCCCNc1ccc(cc1F)F 34a_100000210720_100000210210 [0,2,0,0,0,0|2,0,0]=4 11120 B13R1.369 CCCCNc1ccc(cc1F)I 34a_100011215594_100000210210 [0,2,0,0,0,0|2,0,0]=4 11121 B13R1.369 CCCCNc1ccc(cc1F)O 34a_100000759473_100000210210 [0,2,0,0,0,0|2,0,0]=4 11122 B13R1.369 CCCCNc1ccc(cc1I)Br 34a_100000187925_100000210210 [0,2,0,0,0,0|2,0,0]=4 11123 B13R1.369 CCCCNc1ccc(cc1I)C 34a_100011356834_100000210210 [0,2,0,0,0,0|2,0,0]=4 11124 B13R1.369 CCCCNc1ccc(cc1I)Cl 34a_100000761889_100000210210 [0,2,0,0,0,0|2,0,0]=4 11125 B13R1.369 CCCCNc1ccc(cc1I)F 34a_100000760547_100000210210 [0,2,0,0,0,0|2,0,0]=4 11126 B13R1.369 CCCCNc1ccc(cc1I)O 34a_100010084370_100000210210 [0,2,0,0,0,0|2,0,0]=4 11127 B13R1.369 CCCCNc1ccc(cc1O)Br 34a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 11128 B13R1.369 CCCCNc1ccc(cc1O)C 34a_100000211527_100000210210 [0,2,0,0,0,0|2,0,0]=4 11129 B13R1.369 CCCCNc1ccc(cc1O)Cl 34a_100000185728_100000210210 [0,2,0,0,0,0|2,0,0]=4 11130 B13R1.369 CCCCNc1ccc(cc1O)F 34a_100000753323_100000210210 [0,2,0,0,0,0|2,0,0]=4 11131 B13R1.369 CCCCNc1ccc(cc1O)O 34a_100000106777_100000210210 [0,2,0,0,0,0|2,0,0]=4 11132 B13R1.369 CCCCOc1ccc(cc1Br)Br 34a_100000188717_100000210210 [0,2,0,0,0,0|2,0,0]=4 11133 B13R1.369 CCCCOc1ccc(cc1Br)Br 7a_100000188717_100000210211 [0,2,0,0,0,0|2,0,0]=4 11134 B13R1.369 CCCCOc1ccc(cc1Br)C 34a_100000210800_100000210210 [0,2,0,0,0,0|2,0,0]=4 11135 B13R1.369 CCCCOc1ccc(cc1Br)C 7a_100000210800_100000210211 [0,2,0,0,0,0|2,0,0]=4 11136 B13R1.369 CCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210210 [0,2,0,0,0,0|2,0,0]=4 11137 B13R1.369 CCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210211 [0,2,0,0,0,0|2,0,0]=4 11138 B13R1.369 CCCCOc1ccc(cc1Br)F 34a_100000211999_100000210210 [0,2,0,0,0,0|2,0,0]=4 11139 B13R1.369 CCCCOc1ccc(cc1Br)F 7a_100000211999_100000210211 [0,2,0,0,0,0|2,0,0]=4 11140 B13R1.369 CCCCOc1ccc(cc1Br)I 34a_100012361655_100000210210 [0,2,0,0,0,0|2,0,0]=4 11141 B13R1.369 CCCCOc1ccc(cc1Br)I 7a_100012361655_100000210211 [0,2,0,0,0,0|2,0,0]=4 11142 B13R1.369 CCCCOc1ccc(cc1Br)N 34a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 11143 B13R1.369 CCCCOc1ccc(cc1Br)N 7a_100011534360_100000210211 [0,2,0,0,0,0|2,0,0]=4 11144 B13R1.369 CCCCOc1ccc(cc1C)Br 34a_100000186361_100000210210 [0,2,0,0,0,0|2,0,0]=4 11145 B13R1.369 CCCCOc1ccc(cc1C)Br 7a_100000186361_100000210211 [0,2,0,0,0,0|2,0,0]=4 11146 B13R1.369 CCCCOc1ccc(cc1C)C 34a_100000211776_100000210210 [0,2,0,0,0,0|2,0,0]=4 11147 B13R1.369 CCCCOc1ccc(cc1C)C 7a_100000211776_100000210211 [0,2,0,0,0,0|2,0,0]=4 11148 B13R1.369 CCCCOc1ccc(cc1C)Cl 34a_100000211091_100000210210 [0,2,0,0,0,0|2,0,0]=4 11149 B13R1.369 CCCCOc1ccc(cc1C)Cl 7a_100000211091_100000210211 [0,2,0,0,0,0|2,0,0]=4 11150 B13R1.369 CCCCOc1ccc(cc1C)F 34a_100000764316_100000210210 [0,2,0,0,0,0|2,0,0]=4 11151 B13R1.369 CCCCOc1ccc(cc1C)F 7a_100000764316_100000210211 [0,2,0,0,0,0|2,0,0]=4 11152 B13R1.369 CCCCOc1ccc(cc1C)I 34a_100011218673_100000210210 [0,2,0,0,0,0|2,0,0]=4 11153 B13R1.369 CCCCOc1ccc(cc1C)I 7a_100011218673_100000210211 [0,2,0,0,0,0|2,0,0]=4 11154 B13R1.369 CCCCOc1ccc(cc1C)N 34a_100011218179_100000210210 [0,2,0,0,0,0|2,0,0]=4 11155 B13R1.369 CCCCOc1ccc(cc1C)N 7a_100011218179_100000210211 [0,2,0,0,0,0|2,0,0]=4 11156 B13R1.369 CCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210210 [0,2,0,0,0,0|2,0,0]=4 11157 B13R1.369 CCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210211 [0,2,0,0,0,0|2,0,0]=4 11158 B13R1.369 CCCCOc1ccc(cc1Cl)C 34a_100000749699_100000210210 [0,2,0,0,0,0|2,0,0]=4 11159 B13R1.369 CCCCOc1ccc(cc1Cl)C 7a_100000749699_100000210211 [0,2,0,0,0,0|2,0,0]=4 11160 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210210 [0,2,0,0,0,0|2,0,0]=4 11161 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210211 [0,2,0,0,0,0|2,0,0]=4 11162 B13R1.369 CCCCOc1ccc(cc1Cl)F 34a_100000212004_100000210210 [0,2,0,0,0,0|2,0,0]=4 11163 B13R1.369 CCCCOc1ccc(cc1Cl)F 7a_100000212004_100000210211 [0,2,0,0,0,0|2,0,0]=4 11164 B13R1.369 CCCCOc1ccc(cc1Cl)I 34a_100012360047_100000210210 [0,2,0,0,0,0|2,0,0]=4 11165 B13R1.369 CCCCOc1ccc(cc1Cl)I 7a_100012360047_100000210211 [0,2,0,0,0,0|2,0,0]=4 11166 B13R1.369 CCCCOc1ccc(cc1Cl)N 34a_100000744943_100000210210 [0,2,0,0,0,0|2,0,0]=4 11167 B13R1.369 CCCCOc1ccc(cc1Cl)N 7a_100000744943_100000210211 [0,2,0,0,0,0|2,0,0]=4 11168 B13R1.369 CCCCOc1ccc(cc1F)Br 34a_100000185481_100000210210 [0,2,0,0,0,0|2,0,0]=4 11169 B13R1.369 CCCCOc1ccc(cc1F)Br 7a_100000185481_100000210211 [0,2,0,0,0,0|2,0,0]=4 11170 B13R1.369 CCCCOc1ccc(cc1F)C 34a_100011216688_100000210210 [0,2,0,0,0,0|2,0,0]=4 11171 B13R1.369 CCCCOc1ccc(cc1F)C 7a_100011216688_100000210211 [0,2,0,0,0,0|2,0,0]=4 11172 B13R1.369 CCCCOc1ccc(cc1F)Cl 34a_100000230166_100000210210 [0,2,0,0,0,0|2,0,0]=4 11173 B13R1.369 CCCCOc1ccc(cc1F)Cl 7a_100000230166_100000210211 [0,2,0,0,0,0|2,0,0]=4 11174 B13R1.369 CCCCOc1ccc(cc1F)F 34a_100000230127_100000210210 [0,2,0,0,0,0|2,0,0]=4 11175 B13R1.369 CCCCOc1ccc(cc1F)F 7a_100000230127_100000210211 [0,2,0,0,0,0|2,0,0]=4 11176 B13R1.369 CCCCOc1ccc(cc1F)I 34a_100011356965_100000210210 [0,2,0,0,0,0|2,0,0]=4 11177 B13R1.369 CCCCOc1ccc(cc1F)I 7a_100011356965_100000210211 [0,2,0,0,0,0|2,0,0]=4 11178 B13R1.369 CCCCOc1ccc(cc1F)N 34a_100011220035_100000210210 [0,2,0,0,0,0|2,0,0]=4 11179 B13R1.369 CCCCOc1ccc(cc1F)N 7a_100011220035_100000210211 [0,2,0,0,0,0|2,0,0]=4 11180 B13R1.369 CCCCOc1ccc(cc1I)Br 34a_100012355227_100000210210 [0,2,0,0,0,0|2,0,0]=4 11181 B13R1.369 CCCCOc1ccc(cc1I)Br 7a_100012355227_100000210211 [0,2,0,0,0,0|2,0,0]=4 11182 B13R1.369 CCCCOc1ccc(cc1I)C 34a_100000765521_100000210210 [0,2,0,0,0,0|2,0,0]=4 11183 B13R1.369 CCCCOc1ccc(cc1I)C 7a_100000765521_100000210211 [0,2,0,0,0,0|2,0,0]=4 11184 B13R1.369 CCCCOc1ccc(cc1I)Cl 34a_100011356953_100000210210 [0,2,0,0,0,0|2,0,0]=4 11185 B13R1.369 CCCCOc1ccc(cc1I)Cl 7a_100011356953_100000210211 [0,2,0,0,0,0|2,0,0]=4 11186 B13R1.369 CCCCOc1ccc(cc1I)F 34a_100012355409_100000210210 [0,2,0,0,0,0|2,0,0]=4 11187 B13R1.369 CCCCOc1ccc(cc1I)F 7a_100012355409_100000210211 [0,2,0,0,0,0|2,0,0]=4 11188 B13R1.369 CCCCOc1ccc(cc1I)I 7a_100010001573_100000210211 [0,2,0,0,0,0|2,0,0]=4 11189 B13R1.369 CCCCOc1ccc(cc1N)Br 34a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 11190 B13R1.369 CCCCOc1ccc(cc1N)Br 7a_100000752626_100000210211 [0,2,0,0,0,0|2,0,0]=4 11191 B13R1.369 CCCCOc1ccc(cc1N)C 34a_100011215204_100000210210 [0,2,0,0,0,0|2,0,0]=4 11192 B13R1.369 CCCCOc1ccc(cc1N)C 7a_100011215204_100000210211 [0,2,0,0,0,0|2,0,0]=4 11193 B13R1.369 CCCCOc1ccc(cc1N)Cl 34a_100000210500_100000210210 [0,2,0,0,0,0|2,0,0]=4 11194 B13R1.369 CCCCOc1ccc(cc1N)Cl 7a_100000210500_100000210211 [0,2,0,0,0,0|2,0,0]=4 11195 B13R1.369 CCCCOc1ccc(cc1N)F 34a_100000759472_100000210210 [0,2,0,0,0,0|2,0,0]=4 11196 B13R1.369 CCCCOc1ccc(cc1N)F 7a_100000759472_100000210211 [0,2,0,0,0,0|2,0,0]=4 11197 B13R1.369 CCCCOc1ccc(cc1N)I 34a_100000753495_100000210210 [0,2,0,0,0,0|2,0,0]=4 11198 B13R1.369 CCCCOc1ccc(cc1N)I 7a_100000753495_100000210211 [0,2,0,0,0,0|2,0,0]=4 11199 B13R1.369 CCCCOc1ccc(cc1N)N 34a_100000725306_100000210210 [0,2,0,0,0,0|2,0,0]=4 11200 B13R1.369 CCCCOc1ccc(cc1O)F 271570a_203496583355_200000205391 [0,2,0,0,0,0|2,0,0]=4 11201 B13R1.369 CCCCSc1ccc(cc1Br)C 62a_100000210211_100009813563 [0,2,0,0,0,0|2,0,0]=4 11202 B13R1.369 CCCCSc1ccc(cc1Br)C 62a_100009813563_100000210210 [0,2,0,0,0,0|2,0,0]=4 11203 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100000210211_100011219703 [0,2,0,0,0,0|2,0,0]=4 11204 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210210 [0,2,0,0,0,0|2,0,0]=4 11205 B13R1.369 CCCCSc1ccc(cc1Br)F 62a_100000210211_100011217111 [0,2,0,0,0,0|2,0,0]=4 11206 B13R1.369 CCCCSc1ccc(cc1Br)F 62a_100011217111_100000210210 [0,2,0,0,0,0|2,0,0]=4 11207 B13R1.369 CCCCSc1ccc(cc1Br)N 62a_100000210211_100000750458 [0,2,0,0,0,0|2,0,0]=4 11208 B13R1.369 CCCCSc1ccc(cc1Br)N 62a_100000750458_100000210210 [0,2,0,0,0,0|2,0,0]=4 11209 B13R1.369 CCCCSc1ccc(cc1Br)O 62a_100000210211_100000701344 [0,2,0,0,0,0|2,0,0]=4 11210 B13R1.369 CCCCSc1ccc(cc1Br)O 62a_100000701344_100000210210 [0,2,0,0,0,0|2,0,0]=4 11211 B13R1.369 CCCCSc1ccc(cc1C)Br 62a_100000210211_100000701812 [0,2,0,0,0,0|2,0,0]=4 11212 B13R1.369 CCCCSc1ccc(cc1C)Br 62a_100000701812_100000210210 [0,2,0,0,0,0|2,0,0]=4 11213 B13R1.369 CCCCSc1ccc(cc1C)C 62a_100000210211_100011217332 [0,2,0,0,0,0|2,0,0]=4 11214 B13R1.369 CCCCSc1ccc(cc1C)C 62a_100011217332_100000210210 [0,2,0,0,0,0|2,0,0]=4 11215 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100000210211_100011219607 [0,2,0,0,0,0|2,0,0]=4 11216 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100011219607_100000210210 [0,2,0,0,0,0|2,0,0]=4 11217 B13R1.369 CCCCSc1ccc(cc1C)F 62a_100000210211_100011205405 [0,2,0,0,0,0|2,0,0]=4 11218 B13R1.369 CCCCSc1ccc(cc1C)F 62a_100011205405_100000210210 [0,2,0,0,0,0|2,0,0]=4 11219 B13R1.369 CCCCSc1ccc(cc1C)N 62a_100000210211_100000210723 [0,2,0,0,0,0|2,0,0]=4 11220 B13R1.369 CCCCSc1ccc(cc1C)N 62a_100000210723_100000210210 [0,2,0,0,0,0|2,0,0]=4 11221 B13R1.369 CCCCSc1ccc(cc1C)O 62a_100000210211_100000690111 [0,2,0,0,0,0|2,0,0]=4 11222 B13R1.369 CCCCSc1ccc(cc1Cl)Br 62a_100000210211_100011216062 [0,2,0,0,0,0|2,0,0]=4 11223 B13R1.369 CCCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210210 [0,2,0,0,0,0|2,0,0]=4 11224 B13R1.369 CCCCSc1ccc(cc1Cl)C 62a_100000210211_100011263221 [0,2,0,0,0,0|2,0,0]=4 11225 B13R1.369 CCCCSc1ccc(cc1Cl)C 62a_100011263221_100000210210 [0,2,0,0,0,0|2,0,0]=4 11226 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000210211_100000699841 [0,2,0,0,0,0|2,0,0]=4 11227 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210210 [0,2,0,0,0,0|2,0,0]=4 11228 B13R1.369 CCCCSc1ccc(cc1Cl)F 62a_100000210211_100000733362 [0,2,0,0,0,0|2,0,0]=4 11229 B13R1.369 CCCCSc1ccc(cc1Cl)F 62a_100000733362_100000210210 [0,2,0,0,0,0|2,0,0]=4 11230 B13R1.369 CCCCSc1ccc(cc1Cl)N 62a_100000210211_100000761885 [0,2,0,0,0,0|2,0,0]=4 11231 B13R1.369 CCCCSc1ccc(cc1Cl)N 62a_100000761885_100000210210 [0,2,0,0,0,0|2,0,0]=4 11232 B13R1.369 CCCCSc1ccc(cc1Cl)O 62a_100000047559_100000210210 [0,2,0,0,0,0|2,0,0]=4 11233 B13R1.369 CCCCSc1ccc(cc1Cl)O 62a_100000210211_100000047559 [0,2,0,0,0,0|2,0,0]=4 11234 B13R1.369 CCCCSc1ccc(cc1F)Br 62a_100000210211_100009814013 [0,2,0,0,0,0|2,0,0]=4 11235 B13R1.369 CCCCSc1ccc(cc1F)Br 62a_100009814013_100000210210 [0,2,0,0,0,0|2,0,0]=4 11236 B13R1.369 CCCCSc1ccc(cc1F)C 62a_100000210211_100011216119 [0,2,0,0,0,0|2,0,0]=4 11237 B13R1.369 CCCCSc1ccc(cc1F)C 62a_100011216119_100000210210 [0,2,0,0,0,0|2,0,0]=4 11238 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100000210211_100011216042 [0,2,0,0,0,0|2,0,0]=4 11239 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100011216042_100000210210 [0,2,0,0,0,0|2,0,0]=4 11240 B13R1.369 CCCCSc1ccc(cc1F)F 62a_100000210211_100000750030 [0,2,0,0,0,0|2,0,0]=4 11241 B13R1.369 CCCCSc1ccc(cc1F)F 62a_100000750030_100000210210 [0,2,0,0,0,0|2,0,0]=4 11242 B13R1.369 CCCCSc1ccc(cc1F)N 62a_100000210211_100011356925 [0,2,0,0,0,0|2,0,0]=4 11243 B13R1.369 CCCCSc1ccc(cc1F)N 62a_100011356925_100000210210 [0,2,0,0,0,0|2,0,0]=4 11244 B13R1.369 CCCCSc1ccc(cc1F)O 62a_100000210211_100000755031 [0,2,0,0,0,0|2,0,0]=4 11245 B13R1.369 CCCCSc1ccc(cc1F)O 62a_100000755031_100000210210 [0,2,0,0,0,0|2,0,0]=4 11246 B13R1.369 CCCCSc1ccc(cc1N)Br 62a_100000210211_100000743836 [0,2,0,0,0,0|2,0,0]=4 11247 B13R1.369 CCCCSc1ccc(cc1N)Br 62a_100000743836_100000210210 [0,2,0,0,0,0|2,0,0]=4 11248 B13R1.369 CCCCSc1ccc(cc1N)C 62a_100000210211_100011216686 [0,2,0,0,0,0|2,0,0]=4 11249 B13R1.369 CCCCSc1ccc(cc1N)C 62a_100011216686_100000210210 [0,2,0,0,0,0|2,0,0]=4 11250 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000210211_100000761886 [0,2,0,0,0,0|2,0,0]=4 11251 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000761886_100000210210 [0,2,0,0,0,0|2,0,0]=4 11252 B13R1.369 CCCCSc1ccc(cc1N)F 62a_100000210211_100000687223 [0,2,0,0,0,0|2,0,0]=4 11253 B13R1.369 CCCCSc1ccc(cc1N)F 62a_100000687223_100000210210 [0,2,0,0,0,0|2,0,0]=4 11254 B13R1.369 CCCCSc1ccc(cc1N)N 62a_100000210211_200012175722 [0,2,0,0,0,0|2,0,0]=4 11255 B13R1.369 CCCCSc1ccc(cc1N)N 62a_200012175722_100000210210 [0,2,0,0,0,0|2,0,0]=4 11256 B13R1.369 CCCCSc1ccc(cc1N)O 62a_100000210211_100011999798 [0,2,0,0,0,0|2,0,0]=4 11257 B13R1.369 CCCCSc1ccc(cc1N)O 62a_100011999798_100000210210 [0,2,0,0,0,0|2,0,0]=4 11258 B13R1.369 CCCCSc1ccc(cc1O)Br 62a_100000210211_100012344904 [0,2,0,0,0,0|2,0,0]=4 11259 B13R1.369 CCCCSc1ccc(cc1O)Br 62a_100012344904_100000210210 [0,2,0,0,0,0|2,0,0]=4 11260 B13R1.369 CCCCSc1ccc(cc1O)C 62a_100000210211_100012002257 [0,2,0,0,0,0|2,0,0]=4 11261 B13R1.369 CCCCSc1ccc(cc1O)C 62a_100012002257_100000210210 [0,2,0,0,0,0|2,0,0]=4 11262 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000050036_100000210210 [0,2,0,0,0,0|2,0,0]=4 11263 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000210211_100000050036 [0,2,0,0,0,0|2,0,0]=4 11264 B13R1.369 CCCCSc1ccc(cc1O)F 62a_100000210211_100000690578 [0,2,0,0,0,0|2,0,0]=4 11265 B13R1.369 CCCCSc1ccc(cc1O)F 62a_100000690578_100000210210 [0,2,0,0,0,0|2,0,0]=4 11266 B13R1.369 CCCCSc1ccc(cc1O)O 62a_100000210211_100009813921 [0,2,0,0,0,0|2,0,0]=4 11267 B13R1.369 CCCNCc1ccc(cc1Br)Br 207a_100020643023_100012351556 [0,2,0,0,0,0|2,0,0]=4 11268 B13R1.369 CCCNCc1ccc(cc1Br)Br 270004a_100020643023_100012351556 [0,2,0,0,0,0|2,0,0]=4 11269 B13R1.369 CCCNCc1ccc(cc1Br)C 207a_100020643023_100000692596 [0,2,0,0,0,0|2,0,0]=4 11270 B13R1.369 CCCNCc1ccc(cc1Br)C 270004a_100020643023_100000692596 [0,2,0,0,0,0|2,0,0]=4 11271 B13R1.369 CCCNCc1ccc(cc1Br)Cl 207a_100020643023_100000687667 [0,2,0,0,0,0|2,0,0]=4 11272 B13R1.369 CCCNCc1ccc(cc1Br)Cl 270004a_100020643023_100000687667 [0,2,0,0,0,0|2,0,0]=4 11273 B13R1.369 CCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210303 [0,2,0,0,0,0|2,0,0]=4 11274 B13R1.369 CCCNCc1ccc(cc1Br)F 207a_100020643023_100000685661 [0,2,0,0,0,0|2,0,0]=4 11275 B13R1.369 CCCNCc1ccc(cc1Br)F 270004a_100020643023_100000685661 [0,2,0,0,0,0|2,0,0]=4 11276 B13R1.369 CCCNCc1ccc(cc1Br)F 34a_100000708791_100000210303 [0,2,0,0,0,0|2,0,0]=4 11277 B13R1.369 CCCNCc1ccc(cc1Br)I 207a_100020643023_100010185650 [0,2,0,0,0,0|2,0,0]=4 11278 B13R1.369 CCCNCc1ccc(cc1C)Br 207a_100020643023_100000687586 [0,2,0,0,0,0|2,0,0]=4 11279 B13R1.369 CCCNCc1ccc(cc1C)Br 270004a_100020643023_100000687586 [0,2,0,0,0,0|2,0,0]=4 11280 B13R1.369 CCCNCc1ccc(cc1C)Br 34a_100000753881_100000210303 [0,2,0,0,0,0|2,0,0]=4 11281 B13R1.369 CCCNCc1ccc(cc1C)C 207a_100020643023_100000211342 [0,2,0,0,0,0|2,0,0]=4 11282 B13R1.369 CCCNCc1ccc(cc1C)C 270004a_100020643023_100000211342 [0,2,0,0,0,0|2,0,0]=4 11283 B13R1.369 CCCNCc1ccc(cc1C)C 34a_100000737523_100000210303 [0,2,0,0,0,0|2,0,0]=4 11284 B13R1.369 CCCNCc1ccc(cc1C)Cl 207a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 11285 B13R1.369 CCCNCc1ccc(cc1C)Cl 270004a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 11286 B13R1.369 CCCNCc1ccc(cc1C)Cl 34a_103436540063_100000210303 [0,2,0,0,0,0|2,0,0]=4 11287 B13R1.369 CCCNCc1ccc(cc1C)F 207a_100020643023_100000745986 [0,2,0,0,0,0|2,0,0]=4 11288 B13R1.369 CCCNCc1ccc(cc1C)F 270004a_100020643023_100000745986 [0,2,0,0,0,0|2,0,0]=4 11289 B13R1.369 CCCNCc1ccc(cc1C)F 34a_100137329023_100000210303 [0,2,0,0,0,0|2,0,0]=4 11290 B13R1.369 CCCNCc1ccc(cc1Cl)Br 207a_100020643023_100000764164 [0,2,0,0,0,0|2,0,0]=4 11291 B13R1.369 CCCNCc1ccc(cc1Cl)Br 270004a_100020643023_100000764164 [0,2,0,0,0,0|2,0,0]=4 11292 B13R1.369 CCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000210303 [0,2,0,0,0,0|2,0,0]=4 11293 B13R1.369 CCCNCc1ccc(cc1Cl)C 207a_100020643023_100011935181 [0,2,0,0,0,0|2,0,0]=4 11294 B13R1.369 CCCNCc1ccc(cc1Cl)C 270004a_100020643023_100011935181 [0,2,0,0,0,0|2,0,0]=4 11295 B13R1.369 CCCNCc1ccc(cc1Cl)C 34a_100011997539_100000210303 [0,2,0,0,0,0|2,0,0]=4 11296 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 207a_100020643023_100000188887 [0,2,0,0,0,0|2,0,0]=4 11297 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 270004a_100020643023_100000188887 [0,2,0,0,0,0|2,0,0]=4 11298 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210303 [0,2,0,0,0,0|2,0,0]=4 11299 B13R1.369 CCCNCc1ccc(cc1Cl)F 207a_100020643023_100000752949 [0,2,0,0,0,0|2,0,0]=4 11300 B13R1.369 CCCNCc1ccc(cc1Cl)F 270004a_100020643023_100000752949 [0,2,0,0,0,0|2,0,0]=4 11301 B13R1.369 CCCNCc1ccc(cc1Cl)F 34a_100000174946_100000210303 [0,2,0,0,0,0|2,0,0]=4 11302 B13R1.369 CCCNCc1ccc(cc1Cl)I 207a_100020643023_100000727542 [0,2,0,0,0,0|2,0,0]=4 11303 B13R1.369 CCCNCc1ccc(cc1Cl)O 34a_200161156549_100000210303 [0,2,0,0,0,0|2,0,0]=4 11304 B13R1.369 CCCNCc1ccc(cc1F)Br 207a_100020643023_100000211676 [0,2,0,0,0,0|2,0,0]=4 11305 B13R1.369 CCCNCc1ccc(cc1F)Br 270004a_100020643023_100000211676 [0,2,0,0,0,0|2,0,0]=4 11306 B13R1.369 CCCNCc1ccc(cc1F)Br 34a_100000754580_100000210303 [0,2,0,0,0,0|2,0,0]=4 11307 B13R1.369 CCCNCc1ccc(cc1F)C 207a_100020643023_100011217368 [0,2,0,0,0,0|2,0,0]=4 11308 B13R1.369 CCCNCc1ccc(cc1F)C 270004a_100020643023_100011217368 [0,2,0,0,0,0|2,0,0]=4 11309 B13R1.369 CCCNCc1ccc(cc1F)C 34a_100102887089_100000210303 [0,2,0,0,0,0|2,0,0]=4 11310 B13R1.369 CCCNCc1ccc(cc1F)Cl 207a_100020643023_100000697372 [0,2,0,0,0,0|2,0,0]=4 11311 B13R1.369 CCCNCc1ccc(cc1F)Cl 270004a_100020643023_100000697372 [0,2,0,0,0,0|2,0,0]=4 11312 B13R1.369 CCCNCc1ccc(cc1F)Cl 34a_100000708496_100000210303 [0,2,0,0,0,0|2,0,0]=4 11313 B13R1.369 CCCNCc1ccc(cc1F)F 207a_100020643023_100000211964 [0,2,0,0,0,0|2,0,0]=4 11314 B13R1.369 CCCNCc1ccc(cc1F)F 270004a_100020643023_100000211964 [0,2,0,0,0,0|2,0,0]=4 11315 B13R1.369 CCCNCc1ccc(cc1F)F 34a_100000737868_100000210303 [0,2,0,0,0,0|2,0,0]=4 11316 B13R1.369 CCCNCc1ccc(cc1F)I 207a_100020643023_100000050965 [0,2,0,0,0,0|2,0,0]=4 11317 B13R1.369 CCCNCc1ccc(cc1I)Br 207a_100020643023_100010146562 [0,2,0,0,0,0|2,0,0]=4 11318 B13R1.369 CCCNCc1ccc(cc1I)Br 270004a_100020643023_100010146562 [0,2,0,0,0,0|2,0,0]=4 11319 B13R1.369 CCCNCc1ccc(cc1I)C 207a_100020643023_100010150104 [0,2,0,0,0,0|2,0,0]=4 11320 B13R1.369 CCCNCc1ccc(cc1I)C 270004a_100020643023_100010150104 [0,2,0,0,0,0|2,0,0]=4 11321 B13R1.369 CCCNCc1ccc(cc1I)F 207a_100020643023_100010254405 [0,2,0,0,0,0|2,0,0]=4 11322 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100000210258_200012351560 [0,2,0,0,0,0|2,0,0]=4 11323 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100012357508_100000210303 [0,2,0,0,0,0|2,0,0]=4 11324 B13R1.369 CCCOCc1ccc(cc1Br)Br 7a_100012357508_100000210303 [0,2,0,0,0,0|2,0,0]=4 11325 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000210258_100000755608 [0,2,0,0,0,0|2,0,0]=4 11326 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210303 [0,2,0,0,0,0|2,0,0]=4 11327 B13R1.369 CCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210303 [0,2,0,0,0,0|2,0,0]=4 11328 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000210258_100000243222 [0,2,0,0,0,0|2,0,0]=4 11329 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000744086_100000210303 [0,2,0,0,0,0|2,0,0]=4 11330 B13R1.369 CCCOCc1ccc(cc1Br)F 7a_100000744086_100000210303 [0,2,0,0,0,0|2,0,0]=4 11331 B13R1.369 CCCOCc1ccc(cc1Br)I 34a_100000210258_100010146610 [0,2,0,0,0,0|2,0,0]=4 11332 B13R1.369 CCCOCc1ccc(cc1Br)I 7a_100010240206_100000210303 [0,2,0,0,0,0|2,0,0]=4 11333 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000210258_100000708836 [0,2,0,0,0,0|2,0,0]=4 11334 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000748258_100000210303 [0,2,0,0,0,0|2,0,0]=4 11335 B13R1.369 CCCOCc1ccc(cc1C)Br 7a_100000748258_100000210303 [0,2,0,0,0,0|2,0,0]=4 11336 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100000210258_100011219618 [0,2,0,0,0,0|2,0,0]=4 11337 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 11338 B13R1.369 CCCOCc1ccc(cc1C)C 7a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 11339 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000210258_100012361307 [0,2,0,0,0,0|2,0,0]=4 11340 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000702939_100000210303 [0,2,0,0,0,0|2,0,0]=4 11341 B13R1.369 CCCOCc1ccc(cc1C)Cl 7a_100000702939_100000210303 [0,2,0,0,0,0|2,0,0]=4 11342 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000210258_100000700533 [0,2,0,0,0,0|2,0,0]=4 11343 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000700136_100000210303 [0,2,0,0,0,0|2,0,0]=4 11344 B13R1.369 CCCOCc1ccc(cc1C)F 7a_100000700136_100000210303 [0,2,0,0,0,0|2,0,0]=4 11345 B13R1.369 CCCOCc1ccc(cc1C)N 34a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 11346 B13R1.369 CCCOCc1ccc(cc1C)N 7a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 11347 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000210258_100011740631 [0,2,0,0,0,0|2,0,0]=4 11348 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000210303 [0,2,0,0,0,0|2,0,0]=4 11349 B13R1.369 CCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000210303 [0,2,0,0,0,0|2,0,0]=4 11350 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000210258_100012349684 [0,2,0,0,0,0|2,0,0]=4 11351 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000720314_100000210303 [0,2,0,0,0,0|2,0,0]=4 11352 B13R1.369 CCCOCc1ccc(cc1Cl)C 7a_100000720314_100000210303 [0,2,0,0,0,0|2,0,0]=4 11353 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000210258_100000188473 [0,2,0,0,0,0|2,0,0]=4 11354 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210303 [0,2,0,0,0,0|2,0,0]=4 11355 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210303 [0,2,0,0,0,0|2,0,0]=4 11356 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100000210258_100011216360 [0,2,0,0,0,0|2,0,0]=4 11357 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100011219954_100000210303 [0,2,0,0,0,0|2,0,0]=4 11358 B13R1.369 CCCOCc1ccc(cc1Cl)F 7a_100011219954_100000210303 [0,2,0,0,0,0|2,0,0]=4 11359 B13R1.369 CCCOCc1ccc(cc1Cl)N 34a_100000689119_100000210303 [0,2,0,0,0,0|2,0,0]=4 11360 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100000210258_100000211606 [0,2,0,0,0,0|2,0,0]=4 11361 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100011191541_100000210303 [0,2,0,0,0,0|2,0,0]=4 11362 B13R1.369 CCCOCc1ccc(cc1F)Br 7a_100011191541_100000210303 [0,2,0,0,0,0|2,0,0]=4 11363 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100000210258_100012002367 [0,2,0,0,0,0|2,0,0]=4 11364 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100011216587_100000210303 [0,2,0,0,0,0|2,0,0]=4 11365 B13R1.369 CCCOCc1ccc(cc1F)C 7a_100011216587_100000210303 [0,2,0,0,0,0|2,0,0]=4 11366 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100000210258_100000709361 [0,2,0,0,0,0|2,0,0]=4 11367 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100011217562_100000210303 [0,2,0,0,0,0|2,0,0]=4 11368 B13R1.369 CCCOCc1ccc(cc1F)Cl 7a_100011217562_100000210303 [0,2,0,0,0,0|2,0,0]=4 11369 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100000210258_100000748237 [0,2,0,0,0,0|2,0,0]=4 11370 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100011215441_100000210303 [0,2,0,0,0,0|2,0,0]=4 11371 B13R1.369 CCCOCc1ccc(cc1F)F 7a_100011215441_100000210303 [0,2,0,0,0,0|2,0,0]=4 11372 B13R1.369 CCCOCc1ccc(cc1F)I 34a_100000210258_100010244991 [0,2,0,0,0,0|2,0,0]=4 11373 B13R1.369 CCCOCc1ccc(cc1F)I 34a_200010202041_100000210303 [0,2,0,0,0,0|2,0,0]=4 11374 B13R1.369 CCCOCc1ccc(cc1F)I 7a_200010202041_100000210303 [0,2,0,0,0,0|2,0,0]=4 11375 B13R1.369 CCCOCc1ccc(cc1I)Br 34a_100000210258_100010146615 [0,2,0,0,0,0|2,0,0]=4 11376 B13R1.369 CCCOCc1ccc(cc1I)Br 7a_100010146605_100000210303 [0,2,0,0,0,0|2,0,0]=4 11377 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000210258_100010254388 [0,2,0,0,0,0|2,0,0]=4 11378 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000722340_100000210303 [0,2,0,0,0,0|2,0,0]=4 11379 B13R1.369 CCCOCc1ccc(cc1I)Cl 7a_100000722340_100000210303 [0,2,0,0,0,0|2,0,0]=4 11380 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100000210258_100012354799 [0,2,0,0,0,0|2,0,0]=4 11381 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100011356828_100000210303 [0,2,0,0,0,0|2,0,0]=4 11382 B13R1.369 CCCOCc1ccc(cc1I)F 7a_100011356828_100000210303 [0,2,0,0,0,0|2,0,0]=4 11383 B13R1.369 CCCOCc1ccc(cc1N)Br 34a_100000718831_100000210303 [0,2,0,0,0,0|2,0,0]=4 11384 B13R1.369 CCCOCc1ccc(cc1N)Br 7a_100000718831_100000210303 [0,2,0,0,0,0|2,0,0]=4 11385 B13R1.369 CCCOCc1ccc(cc1N)C 34a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 11386 B13R1.369 CCCOCc1ccc(cc1N)C 7a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 11387 B13R1.369 CCCOCc1ccc(cc1N)Cl 34a_100000238622_100000210303 [0,2,0,0,0,0|2,0,0]=4 11388 B13R1.369 CCCOCc1ccc(cc1N)Cl 7a_100000238622_100000210303 [0,2,0,0,0,0|2,0,0]=4 11389 B13R1.369 CCCOCc1ccc(cc1N)F 34a_100011996588_100000210303 [0,2,0,0,0,0|2,0,0]=4 11390 B13R1.369 CCCSCc1ccc(cc1Br)Br 62a_100000210303_200012351560 [0,2,0,0,0,0|2,0,0]=4 11391 B13R1.369 CCCSCc1ccc(cc1Br)Br 62a_200012351560_100000210303 [0,2,0,0,0,0|2,0,0]=4 11392 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000210303_100000755608 [0,2,0,0,0,0|2,0,0]=4 11393 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210303 [0,2,0,0,0,0|2,0,0]=4 11394 B13R1.369 CCCSCc1ccc(cc1Br)F 62a_100000210303_100000243222 [0,2,0,0,0,0|2,0,0]=4 11395 B13R1.369 CCCSCc1ccc(cc1Br)F 62a_100000243222_100000210303 [0,2,0,0,0,0|2,0,0]=4 11396 B13R1.369 CCCSCc1ccc(cc1Br)I 62a_100000210303_100010146610 [0,2,0,0,0,0|2,0,0]=4 11397 B13R1.369 CCCSCc1ccc(cc1Br)I 62a_100010146610_100000210303 [0,2,0,0,0,0|2,0,0]=4 11398 B13R1.369 CCCSCc1ccc(cc1C)Br 62a_100000210303_100000708836 [0,2,0,0,0,0|2,0,0]=4 11399 B13R1.369 CCCSCc1ccc(cc1C)Br 62a_100000708836_100000210303 [0,2,0,0,0,0|2,0,0]=4 11400 B13R1.369 CCCSCc1ccc(cc1C)C 62a_100000210303_100011219618 [0,2,0,0,0,0|2,0,0]=4 11401 B13R1.369 CCCSCc1ccc(cc1C)C 62a_100011219618_100000210303 [0,2,0,0,0,0|2,0,0]=4 11402 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100000210303_100012361307 [0,2,0,0,0,0|2,0,0]=4 11403 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100012361307_100000210303 [0,2,0,0,0,0|2,0,0]=4 11404 B13R1.369 CCCSCc1ccc(cc1C)F 62a_100000210303_100000700533 [0,2,0,0,0,0|2,0,0]=4 11405 B13R1.369 CCCSCc1ccc(cc1C)F 62a_100000700533_100000210303 [0,2,0,0,0,0|2,0,0]=4 11406 B13R1.369 CCCSCc1ccc(cc1Cl)Br 62a_100000210303_100011740631 [0,2,0,0,0,0|2,0,0]=4 11407 B13R1.369 CCCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210303 [0,2,0,0,0,0|2,0,0]=4 11408 B13R1.369 CCCSCc1ccc(cc1Cl)C 62a_100000210303_100012349684 [0,2,0,0,0,0|2,0,0]=4 11409 B13R1.369 CCCSCc1ccc(cc1Cl)C 62a_100012349684_100000210303 [0,2,0,0,0,0|2,0,0]=4 11410 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210303 [0,2,0,0,0,0|2,0,0]=4 11411 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000210303_100000188473 [0,2,0,0,0,0|2,0,0]=4 11412 B13R1.369 CCCSCc1ccc(cc1Cl)F 62a_100000187853_100000210303 [0,2,0,0,0,0|2,0,0]=4 11413 B13R1.369 CCCSCc1ccc(cc1Cl)F 62a_100000210303_100000187853 [0,2,0,0,0,0|2,0,0]=4 11414 B13R1.369 CCCSCc1ccc(cc1F)Br 62a_100000210303_100000211606 [0,2,0,0,0,0|2,0,0]=4 11415 B13R1.369 CCCSCc1ccc(cc1F)Br 62a_100000211606_100000210303 [0,2,0,0,0,0|2,0,0]=4 11416 B13R1.369 CCCSCc1ccc(cc1F)C 62a_100000210303_100011217900 [0,2,0,0,0,0|2,0,0]=4 11417 B13R1.369 CCCSCc1ccc(cc1F)C 62a_100011217900_100000210303 [0,2,0,0,0,0|2,0,0]=4 11418 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000210303_100000709361 [0,2,0,0,0,0|2,0,0]=4 11419 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000709361_100000210303 [0,2,0,0,0,0|2,0,0]=4 11420 B13R1.369 CCCSCc1ccc(cc1F)F 62a_100000210303_100000748237 [0,2,0,0,0,0|2,0,0]=4 11421 B13R1.369 CCCSCc1ccc(cc1F)F 62a_100000748237_100000210303 [0,2,0,0,0,0|2,0,0]=4 11422 B13R1.369 CCCSCc1ccc(cc1F)I 62a_100000210303_100010244991 [0,2,0,0,0,0|2,0,0]=4 11423 B13R1.369 CCCSCc1ccc(cc1F)I 62a_100010244991_100000210303 [0,2,0,0,0,0|2,0,0]=4 11424 B13R1.369 CCCSCc1ccc(cc1I)Br 62a_100000210303_100010146615 [0,2,0,0,0,0|2,0,0]=4 11425 B13R1.369 CCCSCc1ccc(cc1I)Br 62a_100010146615_100000210303 [0,2,0,0,0,0|2,0,0]=4 11426 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100000210303_100010254388 [0,2,0,0,0,0|2,0,0]=4 11427 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100010254388_100000210303 [0,2,0,0,0,0|2,0,0]=4 11428 B13R1.369 CCCSCc1ccc(cc1I)F 62a_100000210303_100012354799 [0,2,0,0,0,0|2,0,0]=4 11429 B13R1.369 CCCSCc1ccc(cc1I)F 62a_100012354799_100000210303 [0,2,0,0,0,0|2,0,0]=4 11430 B13R1.369 CCNCCc1ccc(cc1Br)Cl 2230a_100015525214_200012945151 [0,2,0,0,0,0|2,0,0]=4 11431 B13R1.369 CCNCCc1ccc(cc1C)C 2230a_100000745621_100000210202 [0,2,0,0,0,0|2,0,0]=4 11432 B13R1.369 CCNCCc1ccc(cc1C)C 270004a_100015525214_100011754701 [0,2,0,0,0,0|2,0,0]=4 11433 B13R1.369 CCNCCc1ccc(cc1C)C 34a_100000745621_100000210202 [0,2,0,0,0,0|2,0,0]=4 11434 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000210202 [0,2,0,0,0,0|2,0,0]=4 11435 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100015525214_200012161198 [0,2,0,0,0,0|2,0,0]=4 11436 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000210202 [0,2,0,0,0,0|2,0,0]=4 11437 B13R1.369 CCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000210202 [0,2,0,0,0,0|2,0,0]=4 11438 B13R1.369 CCNCCc1ccc(cc1F)Cl 34a_103496529009_100000210202 [0,2,0,0,0,0|2,0,0]=4 11439 B13R1.369 CCNCCc1ccc(cc1F)F 2230a_100000754870_100000210202 [0,2,0,0,0,0|2,0,0]=4 11440 B13R1.369 CCNCCc1ccc(cc1F)F 34a_100000754870_100000210202 [0,2,0,0,0,0|2,0,0]=4 11441 B13R1.369 CCOCCc1ccc(cc1Br)Cl 34a_100121572206_200012945151 [0,2,0,0,0,0|2,0,0]=4 11442 B13R1.369 CCOCCc1ccc(cc1Cl)Br 34a_100013445822_100000210202 [0,2,0,0,0,0|2,0,0]=4 11443 B13R1.369 CCOCCc1ccc(cc1Cl)Br 7a_100013445822_100000210202 [0,2,0,0,0,0|2,0,0]=4 11444 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100000210202 [0,2,0,0,0,0|2,0,0]=4 11445 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100121572206_200012161198 [0,2,0,0,0,0|2,0,0]=4 11446 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100000210202 [0,2,0,0,0,0|2,0,0]=4 11447 B13R1.369 CCOCCc1ccc(cc1Cl)F 34a_100011962860_100000210202 [0,2,0,0,0,0|2,0,0]=4 11448 B13R1.369 CCOCCc1ccc(cc1Cl)F 7a_100011962860_100000210202 [0,2,0,0,0,0|2,0,0]=4 11449 B13R1.369 CCOCCc1ccc(cc1F)Br 34a_100011962869_100000210202 [0,2,0,0,0,0|2,0,0]=4 11450 B13R1.369 CCOCCc1ccc(cc1F)Br 7a_100011962869_100000210202 [0,2,0,0,0,0|2,0,0]=4 11451 B13R1.369 CCOCCc1ccc(cc1F)F 34a_100000697962_100000210202 [0,2,0,0,0,0|2,0,0]=4 11452 B13R1.369 CCOCCc1ccc(cc1F)F 7a_100000697962_100000210202 [0,2,0,0,0,0|2,0,0]=4 11453 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_100000210202_200012945151 [0,2,0,0,0,0|2,0,0]=4 11454 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_200012945151_100000210202 [0,2,0,0,0,0|2,0,0]=4 11455 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_100000210202_200012161198 [0,2,0,0,0,0|2,0,0]=4 11456 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100000210202 [0,2,0,0,0,0|2,0,0]=4 11457 B13R1.369 CNCCCc1ccc(cc1Cl)Cl 270004a_106832991635_100000765304 [0,2,0,0,0,0|2,0,0]=4 11458 B13R1.369 COCCCc1ccc(cc1Cl)Cl 34a_200011713141_200000210301 [0,2,0,0,0,0|2,0,0]=4 11459 B13R1.369 COCCCc1ccc(cc1Cl)Cl 7a_200011713141_200000210301 [0,2,0,0,0,0|2,0,0]=4 11460 B13R1.369 Cc1cc(ccc1CNCCF)Br 34a_100000724931_100000708836 [0,2,0,0,0,0|2,0,0]=4 11461 B13R1.369 Cc1cc(ccc1CNCCF)Br 34a_100000753881_100011217306 [0,2,0,0,0,0|2,0,0]=4 11462 B13R1.369 Cc1cc(ccc1CNCCF)Cl 34a_100000724931_100012361307 [0,2,0,0,0,0|2,0,0]=4 11463 B13R1.369 Cc1cc(ccc1CNCCF)Cl 34a_103436540063_100011217306 [0,2,0,0,0,0|2,0,0]=4 11464 B13R1.369 Cc1cc(ccc1CNCCF)F 34a_100000724931_100000700533 [0,2,0,0,0,0|2,0,0]=4 11465 B13R1.369 Cc1cc(ccc1CNCCF)F 34a_100137329023_100011217306 [0,2,0,0,0,0|2,0,0]=4 11466 B13R1.369 Cc1cc(ccc1CNCCO)Br 207a_100000210304_100000687586 [0,2,0,0,0,0|2,0,0]=4 11467 B13R1.369 Cc1cc(ccc1CNCCO)Br 2230a_100016997473_100000708836 [0,2,0,0,0,0|2,0,0]=4 11468 B13R1.369 Cc1cc(ccc1CNCCO)Br 270004a_100000210304_100000687586 [0,2,0,0,0,0|2,0,0]=4 11469 B13R1.369 Cc1cc(ccc1CNCCO)Br 34a_100000753881_100000211926 [0,2,0,0,0,0|2,0,0]=4 11470 B13R1.369 Cc1cc(ccc1CNCCO)Br 34a_100016990907_100000708836 [0,2,0,0,0,0|2,0,0]=4 11471 B13R1.369 Cc1cc(ccc1CNCCO)Cl 207a_100000210304_100000766358 [0,2,0,0,0,0|2,0,0]=4 11472 B13R1.369 Cc1cc(ccc1CNCCO)Cl 2230a_100016997473_100012361307 [0,2,0,0,0,0|2,0,0]=4 11473 B13R1.369 Cc1cc(ccc1CNCCO)Cl 270004a_100000210304_100000766358 [0,2,0,0,0,0|2,0,0]=4 11474 B13R1.369 Cc1cc(ccc1CNCCO)Cl 34a_100016990907_100012361307 [0,2,0,0,0,0|2,0,0]=4 11475 B13R1.369 Cc1cc(ccc1CNCCO)Cl 34a_103436540063_100000211926 [0,2,0,0,0,0|2,0,0]=4 11476 B13R1.369 Cc1cc(ccc1CNCCO)F 207a_100000210304_100000745986 [0,2,0,0,0,0|2,0,0]=4 11477 B13R1.369 Cc1cc(ccc1CNCCO)F 2230a_100016997473_100000700533 [0,2,0,0,0,0|2,0,0]=4 11478 B13R1.369 Cc1cc(ccc1CNCCO)F 270004a_100000210304_100000745986 [0,2,0,0,0,0|2,0,0]=4 11479 B13R1.369 Cc1cc(ccc1CNCCO)F 34a_100016990907_100000700533 [0,2,0,0,0,0|2,0,0]=4 11480 B13R1.369 Cc1cc(ccc1CNCCO)F 34a_100137329023_100000211926 [0,2,0,0,0,0|2,0,0]=4 11481 B13R1.369 Cc1cc(ccc1COCCBr)Br 34a_100000211926_100000708836 [0,2,0,0,0,0|2,0,0]=4 11482 B13R1.369 Cc1cc(ccc1COCCBr)Cl 34a_100000211926_100012361307 [0,2,0,0,0,0|2,0,0]=4 11483 B13R1.369 Cc1cc(ccc1COCCBr)F 34a_100000211926_100000700533 [0,2,0,0,0,0|2,0,0]=4 11484 B13R1.369 Cc1cc(ccc1COCCF)Br 34a_100000748258_100011217306 [0,2,0,0,0,0|2,0,0]=4 11485 B13R1.369 Cc1cc(ccc1COCCF)Br 7a_100000748258_100011217306 [0,2,0,0,0,0|2,0,0]=4 11486 B13R1.369 Cc1cc(ccc1COCCF)Cl 34a_100000702939_100011217306 [0,2,0,0,0,0|2,0,0]=4 11487 B13R1.369 Cc1cc(ccc1COCCF)Cl 7a_100000702939_100011217306 [0,2,0,0,0,0|2,0,0]=4 11488 B13R1.369 Cc1cc(ccc1COCCF)F 34a_100000700136_100011217306 [0,2,0,0,0,0|2,0,0]=4 11489 B13R1.369 Cc1cc(ccc1COCCF)F 7a_100000700136_100011217306 [0,2,0,0,0,0|2,0,0]=4 11490 B13R1.369 Cc1cc(ccc1COCCF)N 34a_100000102464_100011217306 [0,2,0,0,0,0|2,0,0]=4 11491 B13R1.369 Cc1cc(ccc1COCCF)N 7a_100000102464_100011217306 [0,2,0,0,0,0|2,0,0]=4 11492 B13R1.369 Cc1cc(ccc1COCCN)Br 34a_100000210304_100000708836 [0,2,0,0,0,0|1,0,0]=3 11493 B13R1.369 Cc1cc(ccc1COCCN)Cl 34a_100000210304_100012361307 [0,2,0,0,0,0|1,0,0]=3 11494 B13R1.369 Cc1cc(ccc1COCCN)F 34a_100000210304_100000700533 [0,2,0,0,0,0|1,0,0]=3 11495 B13R1.369 Cc1cc(ccc1COCCO)Br 34a_100000748258_100000211926 [0,2,0,0,0,0|2,0,0]=4 11496 B13R1.369 Cc1cc(ccc1COCCO)Br 7a_100000748258_100000211926 [0,2,0,0,0,0|2,0,0]=4 11497 B13R1.369 Cc1cc(ccc1COCCO)Cl 34a_100000702939_100000211926 [0,2,0,0,0,0|2,0,0]=4 11498 B13R1.369 Cc1cc(ccc1COCCO)Cl 7a_100000702939_100000211926 [0,2,0,0,0,0|2,0,0]=4 11499 B13R1.369 Cc1cc(ccc1COCCO)F 34a_100000700136_100000211926 [0,2,0,0,0,0|2,0,0]=4 11500 B13R1.369 Cc1cc(ccc1COCCO)F 7a_100000700136_100000211926 [0,2,0,0,0,0|2,0,0]=4 11501 B13R1.369 Cc1cc(ccc1COCCO)N 34a_100000102464_100000211926 [0,2,0,0,0,0|2,0,0]=4 11502 B13R1.369 Cc1cc(ccc1COCCO)N 7a_100000102464_100000211926 [0,2,0,0,0,0|2,0,0]=4 11503 B13R1.369 Cc1cc(ccc1CSCCF)Br 62a_100000708836_100011217306 [0,2,0,0,0,0|2,0,0]=4 11504 B13R1.369 Cc1cc(ccc1CSCCF)Br 62a_100011217306_100000708836 [0,2,0,0,0,0|2,0,0]=4 11505 B13R1.369 Cc1cc(ccc1CSCCF)Cl 62a_100011217306_100012361307 [0,2,0,0,0,0|2,0,0]=4 11506 B13R1.369 Cc1cc(ccc1CSCCF)Cl 62a_100012361307_100011217306 [0,2,0,0,0,0|2,0,0]=4 11507 B13R1.369 Cc1cc(ccc1CSCCF)F 62a_100000700533_100011217306 [0,2,0,0,0,0|2,0,0]=4 11508 B13R1.369 Cc1cc(ccc1CSCCF)F 62a_100011217306_100000700533 [0,2,0,0,0,0|2,0,0]=4 11509 B13R1.369 Cc1cc(ccc1CSCCO)Br 62a_100000211926_100000708836 [0,2,0,0,0,0|2,0,0]=4 11510 B13R1.369 Cc1cc(ccc1CSCCO)Br 62a_100000708836_100000211926 [0,2,0,0,0,0|2,0,0]=4 11511 B13R1.369 Cc1cc(ccc1CSCCO)Cl 62a_100000211926_100012361307 [0,2,0,0,0,0|2,0,0]=4 11512 B13R1.369 Cc1cc(ccc1CSCCO)Cl 62a_100012361307_100000211926 [0,2,0,0,0,0|2,0,0]=4 11513 B13R1.369 Cc1cc(ccc1CSCCO)F 62a_100000211926_100000700533 [0,2,0,0,0,0|2,0,0]=4 11514 B13R1.369 Cc1cc(ccc1CSCCO)F 62a_100000700533_100000211926 [0,2,0,0,0,0|2,0,0]=4 11515 B13R1.369 Cc1cc(ccc1NCCCF)Br 34a_100000211769_100011934791 [0,2,0,0,0,0|2,0,0]=4 11516 B13R1.369 Cc1cc(ccc1NCCCF)Br 7a_100000211769_100011934791 [0,2,0,0,0,0|2,0,0]=4 11517 B13R1.369 Cc1cc(ccc1NCCCF)Cl 34a_100000210418_100011934791 [0,2,0,0,0,0|2,0,0]=4 11518 B13R1.369 Cc1cc(ccc1NCCCF)Cl 7a_100000210418_100011934791 [0,2,0,0,0,0|2,0,0]=4 11519 B13R1.369 Cc1cc(ccc1NCCCF)F 34a_100000211637_100011934791 [0,2,0,0,0,0|2,0,0]=4 11520 B13R1.369 Cc1cc(ccc1NCCCF)F 7a_100000211637_100011934791 [0,2,0,0,0,0|2,0,0]=4 11521 B13R1.369 Cc1cc(ccc1NCCCF)I 34a_100000184554_100011934791 [0,2,0,0,0,0|2,0,0]=4 11522 B13R1.369 Cc1cc(ccc1NCCCF)I 7a_100000184554_100011934791 [0,2,0,0,0,0|2,0,0]=4 11523 B13R1.369 Cc1cc(ccc1NCCCF)O 34a_100000756630_100011934791 [0,2,0,0,0,0|2,0,0]=4 11524 B13R1.369 Cc1cc(ccc1NCCCO)Br 34a_100000211769_100000230001 [0,2,0,0,0,0|2,0,0]=4 11525 B13R1.369 Cc1cc(ccc1NCCCO)Br 7a_100000211769_100011215043 [0,2,0,0,0,0|2,0,0]=4 11526 B13R1.369 Cc1cc(ccc1NCCCO)Cl 34a_100000210418_100000230001 [0,2,0,0,0,0|2,0,0]=4 11527 B13R1.369 Cc1cc(ccc1NCCCO)Cl 7a_100000210418_100011215043 [0,2,0,0,0,0|2,0,0]=4 11528 B13R1.369 Cc1cc(ccc1NCCCO)F 34a_100000211637_100000230001 [0,2,0,0,0,0|2,0,0]=4 11529 B13R1.369 Cc1cc(ccc1NCCCO)F 7a_100000211637_100011215043 [0,2,0,0,0,0|2,0,0]=4 11530 B13R1.369 Cc1cc(ccc1NCCCO)I 34a_100000184554_100000230001 [0,2,0,0,0,0|2,0,0]=4 11531 B13R1.369 Cc1cc(ccc1NCCCO)I 7a_100000184554_100011215043 [0,2,0,0,0,0|2,0,0]=4 11532 B13R1.369 Cc1cc(ccc1NCCCO)O 34a_100000756630_100000230001 [0,2,0,0,0,0|2,0,0]=4 11533 B13R1.369 Cc1cc(ccc1OCCCF)Br 34a_100000186361_100011934791 [0,2,0,0,0,0|2,0,0]=4 11534 B13R1.369 Cc1cc(ccc1OCCCF)Br 7a_100000186361_100011934791 [0,2,0,0,0,0|2,0,0]=4 11535 B13R1.369 Cc1cc(ccc1OCCCF)Cl 34a_100000211091_100011934791 [0,2,0,0,0,0|2,0,0]=4 11536 B13R1.369 Cc1cc(ccc1OCCCF)Cl 7a_100000211091_100011934791 [0,2,0,0,0,0|2,0,0]=4 11537 B13R1.369 Cc1cc(ccc1OCCCF)F 34a_100000764316_100011934791 [0,2,0,0,0,0|2,0,0]=4 11538 B13R1.369 Cc1cc(ccc1OCCCF)F 7a_100000764316_100011934791 [0,2,0,0,0,0|2,0,0]=4 11539 B13R1.369 Cc1cc(ccc1OCCCF)I 34a_100011218673_100011934791 [0,2,0,0,0,0|2,0,0]=4 11540 B13R1.369 Cc1cc(ccc1OCCCF)I 7a_100011218673_100011934791 [0,2,0,0,0,0|2,0,0]=4 11541 B13R1.369 Cc1cc(ccc1OCCCF)N 34a_100011218179_100011934791 [0,2,0,0,0,0|2,0,0]=4 11542 B13R1.369 Cc1cc(ccc1OCCCF)N 7a_100011218179_100011934791 [0,2,0,0,0,0|2,0,0]=4 11543 B13R1.369 Cc1cc(ccc1OCCCO)Br 34a_100000186361_100000230001 [0,2,0,0,0,0|2,0,0]=4 11544 B13R1.369 Cc1cc(ccc1OCCCO)Br 7a_100000186361_100011215043 [0,2,0,0,0,0|2,0,0]=4 11545 B13R1.369 Cc1cc(ccc1OCCCO)Cl 34a_100000211091_100000230001 [0,2,0,0,0,0|2,0,0]=4 11546 B13R1.369 Cc1cc(ccc1OCCCO)Cl 7a_100000211091_100011215043 [0,2,0,0,0,0|2,0,0]=4 11547 B13R1.369 Cc1cc(ccc1OCCCO)F 34a_100000764316_100000230001 [0,2,0,0,0,0|2,0,0]=4 11548 B13R1.369 Cc1cc(ccc1OCCCO)F 7a_100000764316_100011215043 [0,2,0,0,0,0|2,0,0]=4 11549 B13R1.369 Cc1cc(ccc1OCCCO)I 34a_100011218673_100000230001 [0,2,0,0,0,0|2,0,0]=4 11550 B13R1.369 Cc1cc(ccc1OCCCO)I 7a_100011218673_100011215043 [0,2,0,0,0,0|2,0,0]=4 11551 B13R1.369 Cc1cc(ccc1OCCCO)N 34a_100011218179_100000230001 [0,2,0,0,0,0|2,0,0]=4 11552 B13R1.369 Cc1cc(ccc1OCCCO)N 7a_100011218179_100011215043 [0,2,0,0,0,0|2,0,0]=4 11553 B13R1.369 Cc1cc(ccc1SCCCF)Br 62a_100000701812_100011934791 [0,2,0,0,0,0|2,0,0]=4 11554 B13R1.369 Cc1cc(ccc1SCCCF)Br 62a_100011934791_100000701812 [0,2,0,0,0,0|2,0,0]=4 11555 B13R1.369 Cc1cc(ccc1SCCCF)Cl 62a_100011219607_100011934791 [0,2,0,0,0,0|2,0,0]=4 11556 B13R1.369 Cc1cc(ccc1SCCCF)Cl 62a_100011934791_100011219607 [0,2,0,0,0,0|2,0,0]=4 11557 B13R1.369 Cc1cc(ccc1SCCCF)F 62a_100011205405_100011934791 [0,2,0,0,0,0|2,0,0]=4 11558 B13R1.369 Cc1cc(ccc1SCCCF)F 62a_100011934791_100011205405 [0,2,0,0,0,0|2,0,0]=4 11559 B13R1.369 Cc1cc(ccc1SCCCF)N 62a_100000210723_100011934791 [0,2,0,0,0,0|2,0,0]=4 11560 B13R1.369 Cc1cc(ccc1SCCCF)N 62a_100011934791_100000210723 [0,2,0,0,0,0|2,0,0]=4 11561 B13R1.369 Cc1cc(ccc1SCCCF)O 62a_100011934791_100000690111 [0,2,0,0,0,0|2,0,0]=4 11562 B13R1.369 Cc1cc(ccc1SCCCO)Br 62a_100000701812_100011215043 [0,2,0,0,0,0|2,0,0]=4 11563 B13R1.369 Cc1cc(ccc1SCCCO)Br 62a_100011215043_100000701812 [0,2,0,0,0,0|2,0,0]=4 11564 B13R1.369 Cc1cc(ccc1SCCCO)Cl 62a_100011215043_100011219607 [0,2,0,0,0,0|2,0,0]=4 11565 B13R1.369 Cc1cc(ccc1SCCCO)Cl 62a_100011219607_100011215043 [0,2,0,0,0,0|2,0,0]=4 11566 B13R1.369 Cc1cc(ccc1SCCCO)F 62a_100011205405_100011215043 [0,2,0,0,0,0|2,0,0]=4 11567 B13R1.369 Cc1cc(ccc1SCCCO)F 62a_100011215043_100011205405 [0,2,0,0,0,0|2,0,0]=4 11568 B13R1.369 Cc1cc(ccc1SCCCO)N 62a_100000210723_100011215043 [0,2,0,0,0,0|2,0,0]=4 11569 B13R1.369 Cc1cc(ccc1SCCCO)N 62a_100011215043_100000210723 [0,2,0,0,0,0|2,0,0]=4 11570 B13R1.369 Cc1cc(ccc1SCCCO)O 62a_100011215043_100000690111 [0,2,0,0,0,0|2,0,0]=4 11571 B13R1.369 Cc1cc(ncc1COCCN)F 34a_100000210304_100010382440 [0,2,0,0,0,0|2,0,0]=4 11572 B13R1.369 Cc1ccc(c(c1)Br)CNCCO 207a_100000210304_100000692596 [0,2,0,0,0,0|2,0,0]=4 11573 B13R1.369 Cc1ccc(c(c1)Br)CNCCO 270004a_100000210304_100000692596 [0,2,0,0,0,0|2,0,0]=4 11574 B13R1.369 Cc1ccc(c(c1)Br)NCCCF 34a_100000210942_100011934791 [0,2,0,0,0,0|2,0,0]=4 11575 B13R1.369 Cc1ccc(c(c1)Br)NCCCO 34a_100000210942_100000230001 [0,2,0,0,0,0|2,0,0]=4 11576 B13R1.369 Cc1ccc(c(c1)Br)OCCCF 34a_100000210800_100011934791 [0,2,0,0,0,0|2,0,0]=4 11577 B13R1.369 Cc1ccc(c(c1)Br)OCCCF 7a_100000210800_100011934791 [0,2,0,0,0,0|2,0,0]=4 11578 B13R1.369 Cc1ccc(c(c1)Br)OCCCO 34a_100000210800_100000230001 [0,2,0,0,0,0|2,0,0]=4 11579 B13R1.369 Cc1ccc(c(c1)Br)OCCCO 7a_100000210800_100011215043 [0,2,0,0,0,0|2,0,0]=4 11580 B13R1.369 Cc1ccc(c(c1)Br)SCCCF 62a_100009813563_100011934791 [0,2,0,0,0,0|2,0,0]=4 11581 B13R1.369 Cc1ccc(c(c1)Br)SCCCF 62a_100011934791_100009813563 [0,2,0,0,0,0|2,0,0]=4 11582 B13R1.369 Cc1ccc(c(c1)Br)SCCCO 62a_100009813563_100011215043 [0,2,0,0,0,0|2,0,0]=4 11583 B13R1.369 Cc1ccc(c(c1)Br)SCCCO 62a_100011215043_100009813563 [0,2,0,0,0,0|2,0,0]=4 11584 B13R1.369 Cc1ccc(c(c1)C)CCNCF 34a_100000745621_100015361967 [0,2,0,0,0,0|2,0,0]=4 11585 B13R1.369 Cc1ccc(c(c1)C)CNCCF 34a_100000724931_100011219618 [0,2,0,0,0,0|2,0,0]=4 11586 B13R1.369 Cc1ccc(c(c1)C)CNCCF 34a_100000737523_100011217306 [0,2,0,0,0,0|2,0,0]=4 11587 B13R1.369 Cc1ccc(c(c1)C)CNCCO 207a_100000210304_100000211342 [0,2,0,0,0,0|2,0,0]=4 11588 B13R1.369 Cc1ccc(c(c1)C)CNCCO 2230a_100016997473_100011219618 [0,2,0,0,0,0|2,0,0]=4 11589 B13R1.369 Cc1ccc(c(c1)C)CNCCO 270004a_100000210304_100000211342 [0,2,0,0,0,0|2,0,0]=4 11590 B13R1.369 Cc1ccc(c(c1)C)CNCCO 34a_100000737523_100000211926 [0,2,0,0,0,0|2,0,0]=4 11591 B13R1.369 Cc1ccc(c(c1)C)CNCCO 34a_100016990907_100011219618 [0,2,0,0,0,0|2,0,0]=4 11592 B13R1.369 Cc1ccc(c(c1)C)COCCBr 34a_100000211926_100011219618 [0,2,0,0,0,0|2,0,0]=4 11593 B13R1.369 Cc1ccc(c(c1)C)COCCF 34a_100011215341_100011217306 [0,2,0,0,0,0|2,0,0]=4 11594 B13R1.369 Cc1ccc(c(c1)C)COCCF 7a_100011215341_100011217306 [0,2,0,0,0,0|2,0,0]=4 11595 B13R1.369 Cc1ccc(c(c1)C)COCCN 34a_100000210304_100011219618 [0,2,0,0,0,0|1,0,0]=3 11596 B13R1.369 Cc1ccc(c(c1)C)COCCO 34a_100011215341_100000211926 [0,2,0,0,0,0|2,0,0]=4 11597 B13R1.369 Cc1ccc(c(c1)C)COCCO 7a_100011215341_100000211926 [0,2,0,0,0,0|2,0,0]=4 11598 B13R1.369 Cc1ccc(c(c1)C)CSCCF 62a_100011217306_100011219618 [0,2,0,0,0,0|2,0,0]=4 11599 B13R1.369 Cc1ccc(c(c1)C)CSCCF 62a_100011219618_100011217306 [0,2,0,0,0,0|2,0,0]=4 11600 B13R1.369 Cc1ccc(c(c1)C)CSCCO 62a_100000211926_100011219618 [0,2,0,0,0,0|2,0,0]=4 11601 B13R1.369 Cc1ccc(c(c1)C)CSCCO 62a_100011219618_100000211926 [0,2,0,0,0,0|2,0,0]=4 11602 B13R1.369 Cc1ccc(c(c1)C)NCCCF 34a_100000736561_100011934791 [0,2,0,0,0,0|2,0,0]=4 11603 B13R1.369 Cc1ccc(c(c1)C)NCCCF 7a_100000736561_100011934791 [0,2,0,0,0,0|2,0,0]=4 11604 B13R1.369 Cc1ccc(c(c1)C)NCCCO 34a_100000736561_100000230001 [0,2,0,0,0,0|2,0,0]=4 11605 B13R1.369 Cc1ccc(c(c1)C)NCCCO 7a_100000736561_100011215043 [0,2,0,0,0,0|2,0,0]=4 11606 B13R1.369 Cc1ccc(c(c1)C)OCCCF 34a_100000211776_100011934791 [0,2,0,0,0,0|2,0,0]=4 11607 B13R1.369 Cc1ccc(c(c1)C)OCCCF 7a_100000211776_100011934791 [0,2,0,0,0,0|2,0,0]=4 11608 B13R1.369 Cc1ccc(c(c1)C)OCCCO 34a_100000211776_100000230001 [0,2,0,0,0,0|2,0,0]=4 11609 B13R1.369 Cc1ccc(c(c1)C)OCCCO 7a_100000211776_100011215043 [0,2,0,0,0,0|2,0,0]=4 11610 B13R1.369 Cc1ccc(c(c1)C)SCCCF 62a_100011217332_100011934791 [0,2,0,0,0,0|2,0,0]=4 11611 B13R1.369 Cc1ccc(c(c1)C)SCCCF 62a_100011934791_100011217332 [0,2,0,0,0,0|2,0,0]=4 11612 B13R1.369 Cc1ccc(c(c1)C)SCCCO 62a_100011215043_100011217332 [0,2,0,0,0,0|2,0,0]=4 11613 B13R1.369 Cc1ccc(c(c1)C)SCCCO 62a_100011217332_100011215043 [0,2,0,0,0,0|2,0,0]=4 11614 B13R1.369 Cc1ccc(c(c1)Cl)CNCCF 34a_100000724931_100012349684 [0,2,0,0,0,0|2,0,0]=4 11615 B13R1.369 Cc1ccc(c(c1)Cl)CNCCF 34a_100011997539_100011217306 [0,2,0,0,0,0|2,0,0]=4 11616 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 207a_100000210304_100011935181 [0,2,0,0,0,0|2,0,0]=4 11617 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 2230a_100016997473_100012349684 [0,2,0,0,0,0|2,0,0]=4 11618 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 270004a_100000210304_100011935181 [0,2,0,0,0,0|2,0,0]=4 11619 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 34a_100011997539_100000211926 [0,2,0,0,0,0|2,0,0]=4 11620 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 34a_100016990907_100012349684 [0,2,0,0,0,0|2,0,0]=4 11621 B13R1.369 Cc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100012349684 [0,2,0,0,0,0|2,0,0]=4 11622 B13R1.369 Cc1ccc(c(c1)Cl)COCCF 34a_100000720314_100011217306 [0,2,0,0,0,0|2,0,0]=4 11623 B13R1.369 Cc1ccc(c(c1)Cl)COCCF 7a_100000720314_100011217306 [0,2,0,0,0,0|2,0,0]=4 11624 B13R1.369 Cc1ccc(c(c1)Cl)COCCN 34a_100000210304_100012349684 [0,2,0,0,0,0|1,0,0]=3 11625 B13R1.369 Cc1ccc(c(c1)Cl)COCCO 34a_100000720314_100000211926 [0,2,0,0,0,0|2,0,0]=4 11626 B13R1.369 Cc1ccc(c(c1)Cl)COCCO 7a_100000720314_100000211926 [0,2,0,0,0,0|2,0,0]=4 11627 B13R1.369 Cc1ccc(c(c1)Cl)CSCCF 62a_100011217306_100012349684 [0,2,0,0,0,0|2,0,0]=4 11628 B13R1.369 Cc1ccc(c(c1)Cl)CSCCF 62a_100012349684_100011217306 [0,2,0,0,0,0|2,0,0]=4 11629 B13R1.369 Cc1ccc(c(c1)Cl)CSCCO 62a_100000211926_100012349684 [0,2,0,0,0,0|2,0,0]=4 11630 B13R1.369 Cc1ccc(c(c1)Cl)CSCCO 62a_100012349684_100000211926 [0,2,0,0,0,0|2,0,0]=4 11631 B13R1.369 Cc1ccc(c(c1)Cl)NCCCF 34a_100000210522_100011934791 [0,2,0,0,0,0|2,0,0]=4 11632 B13R1.369 Cc1ccc(c(c1)Cl)NCCCO 34a_100000210522_100000230001 [0,2,0,0,0,0|2,0,0]=4 11633 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 34a_100000749699_100011934791 [0,2,0,0,0,0|2,0,0]=4 11634 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 7a_100000749699_100011934791 [0,2,0,0,0,0|2,0,0]=4 11635 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 34a_100000749699_100000230001 [0,2,0,0,0,0|2,0,0]=4 11636 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 7a_100000749699_100011215043 [0,2,0,0,0,0|2,0,0]=4 11637 B13R1.369 Cc1ccc(c(c1)Cl)SCCCF 62a_100011263221_100011934791 [0,2,0,0,0,0|2,0,0]=4 11638 B13R1.369 Cc1ccc(c(c1)Cl)SCCCF 62a_100011934791_100011263221 [0,2,0,0,0,0|2,0,0]=4 11639 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100011263221 [0,2,0,0,0,0|2,0,0]=4 11640 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011263221_100011215043 [0,2,0,0,0,0|2,0,0]=4 11641 B13R1.369 Cc1ccc(c(c1)F)CNCCF 34a_100000724931_100012002367 [0,2,0,0,0,0|2,0,0]=4 11642 B13R1.369 Cc1ccc(c(c1)F)CNCCF 34a_100102887089_100011217306 [0,2,0,0,0,0|2,0,0]=4 11643 B13R1.369 Cc1ccc(c(c1)F)CNCCO 207a_100000210304_100011217368 [0,2,0,0,0,0|2,0,0]=4 11644 B13R1.369 Cc1ccc(c(c1)F)CNCCO 2230a_100016997473_100011217900 [0,2,0,0,0,0|2,0,0]=4 11645 B13R1.369 Cc1ccc(c(c1)F)CNCCO 270004a_100000210304_100011217368 [0,2,0,0,0,0|2,0,0]=4 11646 B13R1.369 Cc1ccc(c(c1)F)CNCCO 34a_100016990907_100012002367 [0,2,0,0,0,0|2,0,0]=4 11647 B13R1.369 Cc1ccc(c(c1)F)CNCCO 34a_100102887089_100000211926 [0,2,0,0,0,0|2,0,0]=4 11648 B13R1.369 Cc1ccc(c(c1)F)COCCBr 34a_100000211926_100012002367 [0,2,0,0,0,0|2,0,0]=4 11649 B13R1.369 Cc1ccc(c(c1)F)COCCF 34a_100011216587_100011217306 [0,2,0,0,0,0|2,0,0]=4 11650 B13R1.369 Cc1ccc(c(c1)F)COCCF 7a_100011216587_100011217306 [0,2,0,0,0,0|2,0,0]=4 11651 B13R1.369 Cc1ccc(c(c1)F)COCCN 34a_100000210304_100012002367 [0,2,0,0,0,0|1,0,0]=3 11652 B13R1.369 Cc1ccc(c(c1)F)COCCO 34a_100011216587_100000211926 [0,2,0,0,0,0|2,0,0]=4 11653 B13R1.369 Cc1ccc(c(c1)F)COCCO 7a_100011216587_100000211926 [0,2,0,0,0,0|2,0,0]=4 11654 B13R1.369 Cc1ccc(c(c1)F)CSCCF 62a_100011217306_100011217900 [0,2,0,0,0,0|2,0,0]=4 11655 B13R1.369 Cc1ccc(c(c1)F)CSCCF 62a_100011217900_100011217306 [0,2,0,0,0,0|2,0,0]=4 11656 B13R1.369 Cc1ccc(c(c1)F)CSCCO 62a_100000211926_100011217900 [0,2,0,0,0,0|2,0,0]=4 11657 B13R1.369 Cc1ccc(c(c1)F)CSCCO 62a_100011217900_100000211926 [0,2,0,0,0,0|2,0,0]=4 11658 B13R1.369 Cc1ccc(c(c1)F)NCCCF 34a_100000211023_100011934791 [0,2,0,0,0,0|2,0,0]=4 11659 B13R1.369 Cc1ccc(c(c1)F)NCCCO 34a_100000211023_100000230001 [0,2,0,0,0,0|2,0,0]=4 11660 B13R1.369 Cc1ccc(c(c1)F)OCCCF 34a_100011216688_100011934791 [0,2,0,0,0,0|2,0,0]=4 11661 B13R1.369 Cc1ccc(c(c1)F)OCCCF 7a_100011216688_100011934791 [0,2,0,0,0,0|2,0,0]=4 11662 B13R1.369 Cc1ccc(c(c1)F)OCCCO 34a_100011216688_100000230001 [0,2,0,0,0,0|2,0,0]=4 11663 B13R1.369 Cc1ccc(c(c1)F)OCCCO 7a_100011216688_100011215043 [0,2,0,0,0,0|2,0,0]=4 11664 B13R1.369 Cc1ccc(c(c1)F)SCCCF 62a_100011216119_100011934791 [0,2,0,0,0,0|2,0,0]=4 11665 B13R1.369 Cc1ccc(c(c1)F)SCCCF 62a_100011934791_100011216119 [0,2,0,0,0,0|2,0,0]=4 11666 B13R1.369 Cc1ccc(c(c1)F)SCCCO 62a_100011215043_100011216119 [0,2,0,0,0,0|2,0,0]=4 11667 B13R1.369 Cc1ccc(c(c1)F)SCCCO 62a_100011216119_100011215043 [0,2,0,0,0,0|2,0,0]=4 11668 B13R1.369 Cc1ccc(c(c1)I)CNCCO 207a_100000210304_100010150104 [0,2,0,0,0,0|2,0,0]=4 11669 B13R1.369 Cc1ccc(c(c1)I)CNCCO 270004a_100000210304_100010150104 [0,2,0,0,0,0|2,0,0]=4 11670 B13R1.369 Cc1ccc(c(c1)I)NCCCF 34a_100011356834_100011934791 [0,2,0,0,0,0|2,0,0]=4 11671 B13R1.369 Cc1ccc(c(c1)I)NCCCO 34a_100011356834_100000230001 [0,2,0,0,0,0|2,0,0]=4 11672 B13R1.369 Cc1ccc(c(c1)I)OCCCF 34a_100000765521_100011934791 [0,2,0,0,0,0|2,0,0]=4 11673 B13R1.369 Cc1ccc(c(c1)I)OCCCF 7a_100000765521_100011934791 [0,2,0,0,0,0|2,0,0]=4 11674 B13R1.369 Cc1ccc(c(c1)I)OCCCO 34a_100000765521_100000230001 [0,2,0,0,0,0|2,0,0]=4 11675 B13R1.369 Cc1ccc(c(c1)I)OCCCO 7a_100000765521_100011215043 [0,2,0,0,0,0|2,0,0]=4 11676 B13R1.369 Cc1ccc(c(c1)N)COCCF 34a_100000087799_100011217306 [0,2,0,0,0,0|2,0,0]=4 11677 B13R1.369 Cc1ccc(c(c1)N)COCCF 7a_100000087799_100011217306 [0,2,0,0,0,0|2,0,0]=4 11678 B13R1.369 Cc1ccc(c(c1)N)COCCO 34a_100000087799_100000211926 [0,2,0,0,0,0|2,0,0]=4 11679 B13R1.369 Cc1ccc(c(c1)N)COCCO 7a_100000087799_100000211926 [0,2,0,0,0,0|2,0,0]=4 11680 B13R1.369 Cc1ccc(c(c1)N)OCCCF 34a_100011215204_100011934791 [0,2,0,0,0,0|2,0,0]=4 11681 B13R1.369 Cc1ccc(c(c1)N)OCCCF 7a_100011215204_100011934791 [0,2,0,0,0,0|2,0,0]=4 11682 B13R1.369 Cc1ccc(c(c1)N)OCCCO 34a_100011215204_100000230001 [0,2,0,0,0,0|2,0,0]=4 11683 B13R1.369 Cc1ccc(c(c1)N)OCCCO 7a_100011215204_100011215043 [0,2,0,0,0,0|2,0,0]=4 11684 B13R1.369 Cc1ccc(c(c1)N)SCCCF 62a_100011216686_100011934791 [0,2,0,0,0,0|2,0,0]=4 11685 B13R1.369 Cc1ccc(c(c1)N)SCCCF 62a_100011934791_100011216686 [0,2,0,0,0,0|2,0,0]=4 11686 B13R1.369 Cc1ccc(c(c1)N)SCCCO 62a_100011215043_100011216686 [0,2,0,0,0,0|2,0,0]=4 11687 B13R1.369 Cc1ccc(c(c1)N)SCCCO 62a_100011216686_100011215043 [0,2,0,0,0,0|2,0,0]=4 11688 B13R1.369 Cc1ccc(c(c1)O)NCCCF 34a_100000211527_100011934791 [0,2,0,0,0,0|2,0,0]=4 11689 B13R1.369 Cc1ccc(c(c1)O)NCCCO 34a_100000211527_100000230001 [0,2,0,0,0,0|2,0,0]=4 11690 B13R1.369 Cc1ccc(c(c1)O)SCCCF 62a_100011934791_100012002257 [0,2,0,0,0,0|2,0,0]=4 11691 B13R1.369 Cc1ccc(c(c1)O)SCCCF 62a_100012002257_100011934791 [0,2,0,0,0,0|2,0,0]=4 11692 B13R1.369 Cc1ccc(c(c1)O)SCCCO 62a_100011215043_100012002257 [0,2,0,0,0,0|2,0,0]=4 11693 B13R1.369 Cc1ccc(c(c1)O)SCCCO 62a_100012002257_100011215043 [0,2,0,0,0,0|2,0,0]=4 11694 B13R1.369 Cc1ccc(c(n1)Br)COCCN 34a_100000210304_200010064658 [0,2,0,0,0,0|2,0,0]=4 11695 B13R1.369 Cc1cnc(c(c1)C)COCCN 34a_100000210304_100016990036 [0,2,0,0,0,0|2,0,0]=4 11696 B13R1.369 Clc1cc(ccc1COCCBr)Br 34a_100000211926_100011740631 [0,2,0,0,0,0|2,0,0]=4 11697 B13R1.369 Clc1ccc(c(c1)Br)COCCBr 34a_100000211926_100000755608 [0,2,0,0,0,0|2,0,0]=4 11698 B13R1.369 Clc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100000188473 [0,2,0,0,0,0|2,0,0]=4 11699 B13R1.369 Clc1ccc(c(c1)I)COCCBr 34a_100000211926_100010254388 [0,2,0,0,0,0|2,0,0]=4 11700 B13R1.369 FCCCNc1ccc(cc1Br)Br 34a_100000211012_100011934791 [0,2,0,0,0,0|2,0,0]=4 11701 B13R1.369 FCCCNc1ccc(cc1Br)Cl 34a_100000752454_100011934791 [0,2,0,0,0,0|2,0,0]=4 11702 B13R1.369 FCCCNc1ccc(cc1Br)F 34a_100000738039_100011934791 [0,2,0,0,0,0|2,0,0]=4 11703 B13R1.369 FCCCNc1ccc(cc1Cl)Br 34a_100000211467_100011934791 [0,2,0,0,0,0|2,0,0]=4 11704 B13R1.369 FCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011934791 [0,2,0,0,0,0|2,0,0]=4 11705 B13R1.369 FCCCNc1ccc(cc1Cl)F 34a_100000212003_100011934791 [0,2,0,0,0,0|2,0,0]=4 11706 B13R1.369 FCCCNc1ccc(cc1Cl)I 34a_100011218065_100011934791 [0,2,0,0,0,0|2,0,0]=4 11707 B13R1.369 FCCCNc1ccc(cc1F)Br 34a_100000210722_100011934791 [0,2,0,0,0,0|2,0,0]=4 11708 B13R1.369 FCCCNc1ccc(cc1F)Cl 34a_100000211020_100011934791 [0,2,0,0,0,0|2,0,0]=4 11709 B13R1.369 FCCCNc1ccc(cc1F)F 34a_100000210720_100011934791 [0,2,0,0,0,0|2,0,0]=4 11710 B13R1.369 FCCCNc1ccc(cc1F)I 34a_100011215594_100011934791 [0,2,0,0,0,0|2,0,0]=4 11711 B13R1.369 FCCCNc1ccc(cc1I)Br 34a_100000187925_100011934791 [0,2,0,0,0,0|2,0,0]=4 11712 B13R1.369 FCCCNc1ccc(cc1I)Cl 34a_100000761889_100011934791 [0,2,0,0,0,0|2,0,0]=4 11713 B13R1.369 FCCCNc1ccc(cc1I)F 34a_100000760547_100011934791 [0,2,0,0,0,0|2,0,0]=4 11714 B13R1.369 FCCCOc1ccc(cc1Br)Br 34a_100000188717_100011934791 [0,2,0,0,0,0|2,0,0]=4 11715 B13R1.369 FCCCOc1ccc(cc1Br)Br 7a_100000188717_100011934791 [0,2,0,0,0,0|2,0,0]=4 11716 B13R1.369 FCCCOc1ccc(cc1Br)Cl 34a_100000211998_100011934791 [0,2,0,0,0,0|2,0,0]=4 11717 B13R1.369 FCCCOc1ccc(cc1Br)Cl 7a_100000211998_100011934791 [0,2,0,0,0,0|2,0,0]=4 11718 B13R1.369 FCCCOc1ccc(cc1Br)F 34a_100000211999_100011934791 [0,2,0,0,0,0|2,0,0]=4 11719 B13R1.369 FCCCOc1ccc(cc1Br)F 7a_100000211999_100011934791 [0,2,0,0,0,0|2,0,0]=4 11720 B13R1.369 FCCCOc1ccc(cc1Br)I 34a_100012361655_100011934791 [0,2,0,0,0,0|2,0,0]=4 11721 B13R1.369 FCCCOc1ccc(cc1Br)I 7a_100012361655_100011934791 [0,2,0,0,0,0|2,0,0]=4 11722 B13R1.369 FCCCOc1ccc(cc1Cl)Br 34a_100000186472_100011934791 [0,2,0,0,0,0|2,0,0]=4 11723 B13R1.369 FCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011934791 [0,2,0,0,0,0|2,0,0]=4 11724 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011934791 [0,2,0,0,0,0|2,0,0]=4 11725 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011934791 [0,2,0,0,0,0|2,0,0]=4 11726 B13R1.369 FCCCOc1ccc(cc1Cl)F 34a_100000212004_100011934791 [0,2,0,0,0,0|2,0,0]=4 11727 B13R1.369 FCCCOc1ccc(cc1Cl)F 7a_100000212004_100011934791 [0,2,0,0,0,0|2,0,0]=4 11728 B13R1.369 FCCCOc1ccc(cc1Cl)I 34a_100012360047_100011934791 [0,2,0,0,0,0|2,0,0]=4 11729 B13R1.369 FCCCOc1ccc(cc1Cl)I 7a_100012360047_100011934791 [0,2,0,0,0,0|2,0,0]=4 11730 B13R1.369 FCCCOc1ccc(cc1F)Br 34a_100000185481_100011934791 [0,2,0,0,0,0|2,0,0]=4 11731 B13R1.369 FCCCOc1ccc(cc1F)Br 7a_100000185481_100011934791 [0,2,0,0,0,0|2,0,0]=4 11732 B13R1.369 FCCCOc1ccc(cc1F)Cl 34a_100000230166_100011934791 [0,2,0,0,0,0|2,0,0]=4 11733 B13R1.369 FCCCOc1ccc(cc1F)Cl 7a_100000230166_100011934791 [0,2,0,0,0,0|2,0,0]=4 11734 B13R1.369 FCCCOc1ccc(cc1F)F 34a_100000230127_100011934791 [0,2,0,0,0,0|2,0,0]=4 11735 B13R1.369 FCCCOc1ccc(cc1F)F 7a_100000230127_100011934791 [0,2,0,0,0,0|2,0,0]=4 11736 B13R1.369 FCCCOc1ccc(cc1F)I 34a_100011356965_100011934791 [0,2,0,0,0,0|2,0,0]=4 11737 B13R1.369 FCCCOc1ccc(cc1F)I 7a_100011356965_100011934791 [0,2,0,0,0,0|2,0,0]=4 11738 B13R1.369 FCCCOc1ccc(cc1I)Br 34a_100012355227_100011934791 [0,2,0,0,0,0|2,0,0]=4 11739 B13R1.369 FCCCOc1ccc(cc1I)Br 7a_100012355227_100011934791 [0,2,0,0,0,0|2,0,0]=4 11740 B13R1.369 FCCCOc1ccc(cc1I)Cl 34a_100011356953_100011934791 [0,2,0,0,0,0|2,0,0]=4 11741 B13R1.369 FCCCOc1ccc(cc1I)Cl 7a_100011356953_100011934791 [0,2,0,0,0,0|2,0,0]=4 11742 B13R1.369 FCCCOc1ccc(cc1I)F 34a_100012355409_100011934791 [0,2,0,0,0,0|2,0,0]=4 11743 B13R1.369 FCCCOc1ccc(cc1I)F 7a_100012355409_100011934791 [0,2,0,0,0,0|2,0,0]=4 11744 B13R1.369 FCCCOc1ccc(cc1I)I 7a_100010001573_100011934791 [0,2,0,0,0,0|2,0,0]=4 11745 B13R1.369 FCCCSc1ccc(cc1Br)Br 62a_100011484698_100011934791 [0,2,0,0,0,0|2,0,0]=4 11746 B13R1.369 FCCCSc1ccc(cc1Br)Br 62a_100011934791_100011484698 [0,2,0,0,0,0|2,0,0]=4 11747 B13R1.369 FCCCSc1ccc(cc1Br)Cl 62a_100011219703_100011934791 [0,2,0,0,0,0|2,0,0]=4 11748 B13R1.369 FCCCSc1ccc(cc1Br)Cl 62a_100011934791_100011219703 [0,2,0,0,0,0|2,0,0]=4 11749 B13R1.369 FCCCSc1ccc(cc1Br)F 62a_100011217111_100011934791 [0,2,0,0,0,0|2,0,0]=4 11750 B13R1.369 FCCCSc1ccc(cc1Br)F 62a_100011934791_100011217111 [0,2,0,0,0,0|2,0,0]=4 11751 B13R1.369 FCCCSc1ccc(cc1Cl)Br 62a_100011216062_100011934791 [0,2,0,0,0,0|2,0,0]=4 11752 B13R1.369 FCCCSc1ccc(cc1Cl)Br 62a_100011934791_100011216062 [0,2,0,0,0,0|2,0,0]=4 11753 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011934791 [0,2,0,0,0,0|2,0,0]=4 11754 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100011934791_100000699841 [0,2,0,0,0,0|2,0,0]=4 11755 B13R1.369 FCCCSc1ccc(cc1Cl)F 62a_100000733362_100011934791 [0,2,0,0,0,0|2,0,0]=4 11756 B13R1.369 FCCCSc1ccc(cc1Cl)F 62a_100011934791_100000733362 [0,2,0,0,0,0|2,0,0]=4 11757 B13R1.369 FCCCSc1ccc(cc1F)Br 62a_100009814013_100011934791 [0,2,0,0,0,0|2,0,0]=4 11758 B13R1.369 FCCCSc1ccc(cc1F)Br 62a_100011934791_100009814013 [0,2,0,0,0,0|2,0,0]=4 11759 B13R1.369 FCCCSc1ccc(cc1F)Cl 62a_100011216042_100011934791 [0,2,0,0,0,0|2,0,0]=4 11760 B13R1.369 FCCCSc1ccc(cc1F)Cl 62a_100011934791_100011216042 [0,2,0,0,0,0|2,0,0]=4 11761 B13R1.369 FCCCSc1ccc(cc1F)F 62a_100000750030_100011934791 [0,2,0,0,0,0|2,0,0]=4 11762 B13R1.369 FCCCSc1ccc(cc1F)F 62a_100011934791_100000750030 [0,2,0,0,0,0|2,0,0]=4 11763 B13R1.369 FCCNCc1ccc(cc1Br)Br 34a_100000724931_200012351560 [0,2,0,0,0,0|2,0,0]=4 11764 B13R1.369 FCCNCc1ccc(cc1Br)Cl 34a_100000724931_100000755608 [0,2,0,0,0,0|2,0,0]=4 11765 B13R1.369 FCCNCc1ccc(cc1Br)Cl 34a_100102692131_100011217306 [0,2,0,0,0,0|2,0,0]=4 11766 B13R1.369 FCCNCc1ccc(cc1Br)F 34a_100000708791_100011217306 [0,2,0,0,0,0|2,0,0]=4 11767 B13R1.369 FCCNCc1ccc(cc1Br)F 34a_100000724931_100000243222 [0,2,0,0,0,0|2,0,0]=4 11768 B13R1.369 FCCNCc1ccc(cc1Br)I 34a_100000724931_100010146610 [0,2,0,0,0,0|2,0,0]=4 11769 B13R1.369 FCCNCc1ccc(cc1Cl)Br 34a_100000724931_100011740631 [0,2,0,0,0,0|2,0,0]=4 11770 B13R1.369 FCCNCc1ccc(cc1Cl)Br 34a_100020628970_100011217306 [0,2,0,0,0,0|2,0,0]=4 11771 B13R1.369 FCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100011217306 [0,2,0,0,0,0|2,0,0]=4 11772 B13R1.369 FCCNCc1ccc(cc1Cl)Cl 34a_100000724931_100000188473 [0,2,0,0,0,0|2,0,0]=4 11773 B13R1.369 FCCNCc1ccc(cc1Cl)F 34a_100000174946_100011217306 [0,2,0,0,0,0|2,0,0]=4 11774 B13R1.369 FCCNCc1ccc(cc1Cl)F 34a_100000724931_100011216360 [0,2,0,0,0,0|2,0,0]=4 11775 B13R1.369 FCCNCc1ccc(cc1F)Br 34a_100000724931_100000211606 [0,2,0,0,0,0|2,0,0]=4 11776 B13R1.369 FCCNCc1ccc(cc1F)Br 34a_100000754580_100011217306 [0,2,0,0,0,0|2,0,0]=4 11777 B13R1.369 FCCNCc1ccc(cc1F)Cl 34a_100000708496_100011217306 [0,2,0,0,0,0|2,0,0]=4 11778 B13R1.369 FCCNCc1ccc(cc1F)Cl 34a_100000724931_100000709361 [0,2,0,0,0,0|2,0,0]=4 11779 B13R1.369 FCCNCc1ccc(cc1F)F 34a_100000724931_100000748237 [0,2,0,0,0,0|2,0,0]=4 11780 B13R1.369 FCCNCc1ccc(cc1F)F 34a_100000737868_100011217306 [0,2,0,0,0,0|2,0,0]=4 11781 B13R1.369 FCCNCc1ccc(cc1F)I 34a_100000724931_100010244991 [0,2,0,0,0,0|2,0,0]=4 11782 B13R1.369 FCCNCc1ccc(cc1I)Br 34a_100000724931_100010146615 [0,2,0,0,0,0|2,0,0]=4 11783 B13R1.369 FCCNCc1ccc(cc1I)Cl 34a_100000724931_100010254388 [0,2,0,0,0,0|2,0,0]=4 11784 B13R1.369 FCCNCc1ccc(cc1I)F 34a_100000724931_100012354799 [0,2,0,0,0,0|2,0,0]=4 11785 B13R1.369 FCCOCc1ccc(cc1Br)Br 34a_100012357508_100011217306 [0,2,0,0,0,0|2,0,0]=4 11786 B13R1.369 FCCOCc1ccc(cc1Br)Br 7a_100012357508_100011217306 [0,2,0,0,0,0|2,0,0]=4 11787 B13R1.369 FCCOCc1ccc(cc1Br)Cl 34a_100000707881_100011217306 [0,2,0,0,0,0|2,0,0]=4 11788 B13R1.369 FCCOCc1ccc(cc1Br)Cl 7a_100000707881_100011217306 [0,2,0,0,0,0|2,0,0]=4 11789 B13R1.369 FCCOCc1ccc(cc1Br)F 34a_100000744086_100011217306 [0,2,0,0,0,0|2,0,0]=4 11790 B13R1.369 FCCOCc1ccc(cc1Br)F 7a_100000744086_100011217306 [0,2,0,0,0,0|2,0,0]=4 11791 B13R1.369 FCCOCc1ccc(cc1Br)I 7a_100010240206_100011217306 [0,2,0,0,0,0|2,0,0]=4 11792 B13R1.369 FCCOCc1ccc(cc1Cl)Br 34a_100000756401_100011217306 [0,2,0,0,0,0|2,0,0]=4 11793 B13R1.369 FCCOCc1ccc(cc1Cl)Br 7a_100000756401_100011217306 [0,2,0,0,0,0|2,0,0]=4 11794 B13R1.369 FCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100011217306 [0,2,0,0,0,0|2,0,0]=4 11795 B13R1.369 FCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100011217306 [0,2,0,0,0,0|2,0,0]=4 11796 B13R1.369 FCCOCc1ccc(cc1Cl)F 34a_100011219954_100011217306 [0,2,0,0,0,0|2,0,0]=4 11797 B13R1.369 FCCOCc1ccc(cc1Cl)F 7a_100011219954_100011217306 [0,2,0,0,0,0|2,0,0]=4 11798 B13R1.369 FCCOCc1ccc(cc1F)Br 34a_100011191541_100011217306 [0,2,0,0,0,0|2,0,0]=4 11799 B13R1.369 FCCOCc1ccc(cc1F)Br 7a_100011191541_100011217306 [0,2,0,0,0,0|2,0,0]=4 11800 B13R1.369 FCCOCc1ccc(cc1F)Cl 34a_100011217562_100011217306 [0,2,0,0,0,0|2,0,0]=4 11801 B13R1.369 FCCOCc1ccc(cc1F)Cl 7a_100011217562_100011217306 [0,2,0,0,0,0|2,0,0]=4 11802 B13R1.369 FCCOCc1ccc(cc1F)F 34a_100011215441_100011217306 [0,2,0,0,0,0|2,0,0]=4 11803 B13R1.369 FCCOCc1ccc(cc1F)F 7a_100011215441_100011217306 [0,2,0,0,0,0|2,0,0]=4 11804 B13R1.369 FCCOCc1ccc(cc1F)I 34a_200010202041_100011217306 [0,2,0,0,0,0|2,0,0]=4 11805 B13R1.369 FCCOCc1ccc(cc1F)I 7a_200010202041_100011217306 [0,2,0,0,0,0|2,0,0]=4 11806 B13R1.369 FCCOCc1ccc(cc1I)Br 7a_100010146605_100011217306 [0,2,0,0,0,0|2,0,0]=4 11807 B13R1.369 FCCOCc1ccc(cc1I)Cl 34a_100000722340_100011217306 [0,2,0,0,0,0|2,0,0]=4 11808 B13R1.369 FCCOCc1ccc(cc1I)Cl 7a_100000722340_100011217306 [0,2,0,0,0,0|2,0,0]=4 11809 B13R1.369 FCCOCc1ccc(cc1I)F 34a_100011356828_100011217306 [0,2,0,0,0,0|2,0,0]=4 11810 B13R1.369 FCCOCc1ccc(cc1I)F 7a_100011356828_100011217306 [0,2,0,0,0,0|2,0,0]=4 11811 B13R1.369 FCCSCc1ccc(cc1Br)Br 62a_100011217306_200012351560 [0,2,0,0,0,0|2,0,0]=4 11812 B13R1.369 FCCSCc1ccc(cc1Br)Br 62a_200012351560_100011217306 [0,2,0,0,0,0|2,0,0]=4 11813 B13R1.369 FCCSCc1ccc(cc1Br)Cl 62a_100000755608_100011217306 [0,2,0,0,0,0|2,0,0]=4 11814 B13R1.369 FCCSCc1ccc(cc1Br)Cl 62a_100011217306_100000755608 [0,2,0,0,0,0|2,0,0]=4 11815 B13R1.369 FCCSCc1ccc(cc1Br)F 62a_100000243222_100011217306 [0,2,0,0,0,0|2,0,0]=4 11816 B13R1.369 FCCSCc1ccc(cc1Br)F 62a_100011217306_100000243222 [0,2,0,0,0,0|2,0,0]=4 11817 B13R1.369 FCCSCc1ccc(cc1Br)I 62a_100010146610_100011217306 [0,2,0,0,0,0|2,0,0]=4 11818 B13R1.369 FCCSCc1ccc(cc1Br)I 62a_100011217306_100010146610 [0,2,0,0,0,0|2,0,0]=4 11819 B13R1.369 FCCSCc1ccc(cc1Cl)Br 62a_100011217306_100011740631 [0,2,0,0,0,0|2,0,0]=4 11820 B13R1.369 FCCSCc1ccc(cc1Cl)Br 62a_100011740631_100011217306 [0,2,0,0,0,0|2,0,0]=4 11821 B13R1.369 FCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100011217306 [0,2,0,0,0,0|2,0,0]=4 11822 B13R1.369 FCCSCc1ccc(cc1Cl)Cl 62a_100011217306_100000188473 [0,2,0,0,0,0|2,0,0]=4 11823 B13R1.369 FCCSCc1ccc(cc1Cl)F 62a_100000187853_100011217306 [0,2,0,0,0,0|2,0,0]=4 11824 B13R1.369 FCCSCc1ccc(cc1Cl)F 62a_100011217306_100000187853 [0,2,0,0,0,0|2,0,0]=4 11825 B13R1.369 FCCSCc1ccc(cc1F)Br 62a_100000211606_100011217306 [0,2,0,0,0,0|2,0,0]=4 11826 B13R1.369 FCCSCc1ccc(cc1F)Br 62a_100011217306_100000211606 [0,2,0,0,0,0|2,0,0]=4 11827 B13R1.369 FCCSCc1ccc(cc1F)Cl 62a_100000709361_100011217306 [0,2,0,0,0,0|2,0,0]=4 11828 B13R1.369 FCCSCc1ccc(cc1F)Cl 62a_100011217306_100000709361 [0,2,0,0,0,0|2,0,0]=4 11829 B13R1.369 FCCSCc1ccc(cc1F)F 62a_100000748237_100011217306 [0,2,0,0,0,0|2,0,0]=4 11830 B13R1.369 FCCSCc1ccc(cc1F)F 62a_100011217306_100000748237 [0,2,0,0,0,0|2,0,0]=4 11831 B13R1.369 FCCSCc1ccc(cc1F)I 62a_100010244991_100011217306 [0,2,0,0,0,0|2,0,0]=4 11832 B13R1.369 FCCSCc1ccc(cc1F)I 62a_100011217306_100010244991 [0,2,0,0,0,0|2,0,0]=4 11833 B13R1.369 FCCSCc1ccc(cc1I)Br 62a_100010146615_100011217306 [0,2,0,0,0,0|2,0,0]=4 11834 B13R1.369 FCCSCc1ccc(cc1I)Br 62a_100011217306_100010146615 [0,2,0,0,0,0|2,0,0]=4 11835 B13R1.369 FCCSCc1ccc(cc1I)Cl 62a_100010254388_100011217306 [0,2,0,0,0,0|2,0,0]=4 11836 B13R1.369 FCCSCc1ccc(cc1I)Cl 62a_100011217306_100010254388 [0,2,0,0,0,0|2,0,0]=4 11837 B13R1.369 FCCSCc1ccc(cc1I)F 62a_100011217306_100012354799 [0,2,0,0,0,0|2,0,0]=4 11838 B13R1.369 FCCSCc1ccc(cc1I)F 62a_100012354799_100011217306 [0,2,0,0,0,0|2,0,0]=4 11839 B13R1.369 FCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100015361967 [0,2,0,0,0,0|2,0,0]=4 11840 B13R1.369 FCNCCc1ccc(cc1F)Cl 34a_103496529009_100015361967 [0,2,0,0,0,0|2,0,0]=4 11841 B13R1.369 FCNCCc1ccc(cc1F)F 34a_100000754870_100015361967 [0,2,0,0,0,0|2,0,0]=4 11842 B13R1.369 FCOCCc1ccc(cc1Cl)Br 34a_100013445822_100015361967 [0,2,0,0,0,0|2,0,0]=4 11843 B13R1.369 FCOCCc1ccc(cc1Cl)Br 7a_100013445822_100015361967 [0,2,0,0,0,0|2,0,0]=4 11844 B13R1.369 FCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100015361967 [0,2,0,0,0,0|2,0,0]=4 11845 B13R1.369 FCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100015361967 [0,2,0,0,0,0|2,0,0]=4 11846 B13R1.369 FCOCCc1ccc(cc1Cl)F 34a_100011962860_100015361967 [0,2,0,0,0,0|2,0,0]=4 11847 B13R1.369 FCOCCc1ccc(cc1Cl)F 7a_100011962860_100015361967 [0,2,0,0,0,0|2,0,0]=4 11848 B13R1.369 FCOCCc1ccc(cc1F)Br 34a_100011962869_100015361967 [0,2,0,0,0,0|2,0,0]=4 11849 B13R1.369 FCOCCc1ccc(cc1F)Br 7a_100011962869_100015361967 [0,2,0,0,0,0|2,0,0]=4 11850 B13R1.369 FCOCCc1ccc(cc1F)F 34a_100000697962_100015361967 [0,2,0,0,0,0|2,0,0]=4 11851 B13R1.369 FCOCCc1ccc(cc1F)F 7a_100000697962_100015361967 [0,2,0,0,0,0|2,0,0]=4 11852 B13R1.369 FCSCCc1ccc(cc1Br)Cl 62a_100015361967_200012945151 [0,2,0,0,0,0|2,0,0]=4 11853 B13R1.369 FCSCCc1ccc(cc1Br)Cl 62a_200012945151_100015361967 [0,2,0,0,0,0|2,0,0]=4 11854 B13R1.369 FCSCCc1ccc(cc1Cl)Cl 62a_100015361967_200012161198 [0,2,0,0,0,0|2,0,0]=4 11855 B13R1.369 FCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100015361967 [0,2,0,0,0,0|2,0,0]=4 11856 B13R1.369 Fc1cc(ccc1COCCBr)Br 34a_100000211926_100000211606 [0,2,0,0,0,0|2,0,0]=4 11857 B13R1.369 Fc1cc(ccc1COCCBr)Cl 34a_100000211926_100000709361 [0,2,0,0,0,0|2,0,0]=4 11858 B13R1.369 Fc1cc(ccc1COCCBr)I 34a_100000211926_100010244991 [0,2,0,0,0,0|2,0,0]=4 11859 B13R1.369 Fc1ccc(c(c1)Br)COCCBr 34a_100000211926_100000243222 [0,2,0,0,0,0|2,0,0]=4 11860 B13R1.369 Fc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100011216360 [0,2,0,0,0,0|2,0,0]=4 11861 B13R1.369 Fc1ccc(c(c1)F)COCCBr 34a_100000211926_100000748237 [0,2,0,0,0,0|2,0,0]=4 11862 B13R1.369 Fc1ccc(c(c1)I)COCCBr 34a_100000211926_100012354799 [0,2,0,0,0,0|2,0,0]=4 11863 B13R1.369 NCCOCc1ccc(cc1Br)Br 34a_100000210304_200012351560 [0,2,0,0,0,0|1,0,0]=3 11864 B13R1.369 NCCOCc1ccc(cc1Br)Cl 34a_100000210304_100000755608 [0,2,0,0,0,0|1,0,0]=3 11865 B13R1.369 NCCOCc1ccc(cc1Br)F 34a_100000210304_100000243222 [0,2,0,0,0,0|1,0,0]=3 11866 B13R1.369 NCCOCc1ccc(cc1Br)I 34a_100000210304_100010146610 [0,2,0,0,0,0|1,0,0]=3 11867 B13R1.369 NCCOCc1ccc(cc1Cl)Br 34a_100000210304_100011740631 [0,2,0,0,0,0|1,0,0]=3 11868 B13R1.369 NCCOCc1ccc(cc1Cl)Cl 34a_100000210304_100000188473 [0,2,0,0,0,0|1,0,0]=3 11869 B13R1.369 NCCOCc1ccc(cc1Cl)F 34a_100000210304_100011216360 [0,2,0,0,0,0|1,0,0]=3 11870 B13R1.369 NCCOCc1ccc(cc1F)Br 34a_100000210304_100000211606 [0,2,0,0,0,0|1,0,0]=3 11871 B13R1.369 NCCOCc1ccc(cc1F)Cl 34a_100000210304_100000709361 [0,2,0,0,0,0|1,0,0]=3 11872 B13R1.369 NCCOCc1ccc(cc1F)F 34a_100000210304_100000748237 [0,2,0,0,0,0|1,0,0]=3 11873 B13R1.369 NCCOCc1ccc(cc1F)I 34a_100000210304_100010244991 [0,2,0,0,0,0|1,0,0]=3 11874 B13R1.369 NCCOCc1ccc(cc1I)Br 34a_100000210304_100010146615 [0,2,0,0,0,0|1,0,0]=3 11875 B13R1.369 NCCOCc1ccc(cc1I)Cl 34a_100000210304_100010254388 [0,2,0,0,0,0|1,0,0]=3 11876 B13R1.369 NCCOCc1ccc(cc1I)F 34a_100000210304_100012354799 [0,2,0,0,0,0|1,0,0]=3 11877 B13R1.369 NCCOCc1ccc(nc1Cl)Cl 34a_100000210304_100000722033 [0,2,0,0,0,0|2,0,0]=4 11878 B13R1.369 NCCOCc1cnc(cc1Cl)Cl 34a_100000210304_100011997056 [0,2,0,0,0,0|2,0,0]=4 11879 B13R1.369 NCCOCc1ncc(cc1F)Cl 34a_100000210304_200009879301 [0,2,0,0,0,0|2,0,0]=4 11880 B13R1.369 Nc1cc(ccc1COCCF)Br 34a_100000718831_100011217306 [0,2,0,0,0,0|2,0,0]=4 11881 B13R1.369 Nc1cc(ccc1COCCF)Br 7a_100000718831_100011217306 [0,2,0,0,0,0|2,0,0]=4 11882 B13R1.369 Nc1cc(ccc1COCCF)Cl 34a_100000238622_100011217306 [0,2,0,0,0,0|2,0,0]=4 11883 B13R1.369 Nc1cc(ccc1COCCF)Cl 7a_100000238622_100011217306 [0,2,0,0,0,0|2,0,0]=4 11884 B13R1.369 Nc1cc(ccc1COCCF)F 34a_100011996588_100011217306 [0,2,0,0,0,0|2,0,0]=4 11885 B13R1.369 Nc1cc(ccc1COCCO)Br 34a_100000718831_100000211926 [0,2,0,0,0,0|2,0,0]=4 11886 B13R1.369 Nc1cc(ccc1COCCO)Br 7a_100000718831_100000211926 [0,2,0,0,0,0|2,0,0]=4 11887 B13R1.369 Nc1cc(ccc1COCCO)Cl 34a_100000238622_100000211926 [0,2,0,0,0,0|2,0,0]=4 11888 B13R1.369 Nc1cc(ccc1COCCO)Cl 7a_100000238622_100000211926 [0,2,0,0,0,0|2,0,0]=4 11889 B13R1.369 Nc1cc(ccc1COCCO)F 34a_100011996588_100000211926 [0,2,0,0,0,0|2,0,0]=4 11890 B13R1.369 Nc1cc(ccc1OCCCF)Br 34a_100000752626_100011934791 [0,2,0,0,0,0|2,0,0]=4 11891 B13R1.369 Nc1cc(ccc1OCCCF)Br 7a_100000752626_100011934791 [0,2,0,0,0,0|2,0,0]=4 11892 B13R1.369 Nc1cc(ccc1OCCCF)Cl 34a_100000210500_100011934791 [0,2,0,0,0,0|2,0,0]=4 11893 B13R1.369 Nc1cc(ccc1OCCCF)Cl 7a_100000210500_100011934791 [0,2,0,0,0,0|2,0,0]=4 11894 B13R1.369 Nc1cc(ccc1OCCCF)F 34a_100000759472_100011934791 [0,2,0,0,0,0|2,0,0]=4 11895 B13R1.369 Nc1cc(ccc1OCCCF)F 7a_100000759472_100011934791 [0,2,0,0,0,0|2,0,0]=4 11896 B13R1.369 Nc1cc(ccc1OCCCF)I 34a_100000753495_100011934791 [0,2,0,0,0,0|2,0,0]=4 11897 B13R1.369 Nc1cc(ccc1OCCCF)I 7a_100000753495_100011934791 [0,2,0,0,0,0|2,0,0]=4 11898 B13R1.369 Nc1cc(ccc1OCCCO)Br 34a_100000752626_100000230001 [0,2,0,0,0,0|2,0,0]=4 11899 B13R1.369 Nc1cc(ccc1OCCCO)Br 7a_100000752626_100011215043 [0,2,0,0,0,0|2,0,0]=4 11900 B13R1.369 Nc1cc(ccc1OCCCO)Cl 34a_100000210500_100000230001 [0,2,0,0,0,0|2,0,0]=4 11901 B13R1.369 Nc1cc(ccc1OCCCO)Cl 7a_100000210500_100011215043 [0,2,0,0,0,0|2,0,0]=4 11902 B13R1.369 Nc1cc(ccc1OCCCO)F 34a_100000759472_100000230001 [0,2,0,0,0,0|2,0,0]=4 11903 B13R1.369 Nc1cc(ccc1OCCCO)F 7a_100000759472_100011215043 [0,2,0,0,0,0|2,0,0]=4 11904 B13R1.369 Nc1cc(ccc1OCCCO)I 34a_100000753495_100000230001 [0,2,0,0,0,0|2,0,0]=4 11905 B13R1.369 Nc1cc(ccc1OCCCO)I 7a_100000753495_100011215043 [0,2,0,0,0,0|2,0,0]=4 11906 B13R1.369 Nc1cc(ccc1SCCCF)Br 62a_100000743836_100011934791 [0,2,0,0,0,0|2,0,0]=4 11907 B13R1.369 Nc1cc(ccc1SCCCF)Br 62a_100011934791_100000743836 [0,2,0,0,0,0|2,0,0]=4 11908 B13R1.369 Nc1cc(ccc1SCCCF)Cl 62a_100000761886_100011934791 [0,2,0,0,0,0|2,0,0]=4 11909 B13R1.369 Nc1cc(ccc1SCCCF)Cl 62a_100011934791_100000761886 [0,2,0,0,0,0|2,0,0]=4 11910 B13R1.369 Nc1cc(ccc1SCCCF)F 62a_100000687223_100011934791 [0,2,0,0,0,0|2,0,0]=4 11911 B13R1.369 Nc1cc(ccc1SCCCF)F 62a_100011934791_100000687223 [0,2,0,0,0,0|2,0,0]=4 11912 B13R1.369 Nc1cc(ccc1SCCCF)O 62a_100011934791_100011999798 [0,2,0,0,0,0|2,0,0]=4 11913 B13R1.369 Nc1cc(ccc1SCCCF)O 62a_100011999798_100011934791 [0,2,0,0,0,0|2,0,0]=4 11914 B13R1.369 Nc1cc(ccc1SCCCO)Br 62a_100000743836_100011215043 [0,2,0,0,0,0|2,0,0]=4 11915 B13R1.369 Nc1cc(ccc1SCCCO)Br 62a_100011215043_100000743836 [0,2,0,0,0,0|2,0,0]=4 11916 B13R1.369 Nc1cc(ccc1SCCCO)Cl 62a_100000761886_100011215043 [0,2,0,0,0,0|2,0,0]=4 11917 B13R1.369 Nc1cc(ccc1SCCCO)Cl 62a_100011215043_100000761886 [0,2,0,0,0,0|2,0,0]=4 11918 B13R1.369 Nc1cc(ccc1SCCCO)F 62a_100000687223_100011215043 [0,2,0,0,0,0|2,0,0]=4 11919 B13R1.369 Nc1cc(ccc1SCCCO)F 62a_100011215043_100000687223 [0,2,0,0,0,0|2,0,0]=4 11920 B13R1.369 Nc1cc(ccc1SCCCO)O 62a_100011215043_100011999798 [0,2,0,0,0,0|2,0,0]=4 11921 B13R1.369 Nc1cc(ccc1SCCCO)O 62a_100011999798_100011215043 [0,2,0,0,0,0|2,0,0]=4 11922 B13R1.369 Nc1ccc(c(c1)Br)OCCCF 34a_100011534360_100011934791 [0,2,0,0,0,0|2,0,0]=4 11923 B13R1.369 Nc1ccc(c(c1)Br)OCCCF 7a_100011534360_100011934791 [0,2,0,0,0,0|2,0,0]=4 11924 B13R1.369 Nc1ccc(c(c1)Br)OCCCO 34a_100011534360_100000230001 [0,2,0,0,0,0|2,0,0]=4 11925 B13R1.369 Nc1ccc(c(c1)Br)OCCCO 7a_100011534360_100011215043 [0,2,0,0,0,0|2,0,0]=4 11926 B13R1.369 Nc1ccc(c(c1)Br)SCCCF 62a_100000750458_100011934791 [0,2,0,0,0,0|2,0,0]=4 11927 B13R1.369 Nc1ccc(c(c1)Br)SCCCF 62a_100011934791_100000750458 [0,2,0,0,0,0|2,0,0]=4 11928 B13R1.369 Nc1ccc(c(c1)Br)SCCCO 62a_100000750458_100011215043 [0,2,0,0,0,0|2,0,0]=4 11929 B13R1.369 Nc1ccc(c(c1)Br)SCCCO 62a_100011215043_100000750458 [0,2,0,0,0,0|2,0,0]=4 11930 B13R1.369 Nc1ccc(c(c1)Cl)COCCF 34a_100000689119_100011217306 [0,2,0,0,0,0|2,0,0]=4 11931 B13R1.369 Nc1ccc(c(c1)Cl)COCCO 34a_100000689119_100000211926 [0,2,0,0,0,0|2,0,0]=4 11932 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 34a_100000744943_100011934791 [0,2,0,0,0,0|2,0,0]=4 11933 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 7a_100000744943_100011934791 [0,2,0,0,0,0|2,0,0]=4 11934 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 34a_100000744943_100000230001 [0,2,0,0,0,0|2,0,0]=4 11935 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 7a_100000744943_100011215043 [0,2,0,0,0,0|2,0,0]=4 11936 B13R1.369 Nc1ccc(c(c1)Cl)SCCCF 62a_100000761885_100011934791 [0,2,0,0,0,0|2,0,0]=4 11937 B13R1.369 Nc1ccc(c(c1)Cl)SCCCF 62a_100011934791_100000761885 [0,2,0,0,0,0|2,0,0]=4 11938 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100000761885_100011215043 [0,2,0,0,0,0|2,0,0]=4 11939 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100000761885 [0,2,0,0,0,0|2,0,0]=4 11940 B13R1.369 Nc1ccc(c(c1)F)OCCCF 34a_100011220035_100011934791 [0,2,0,0,0,0|2,0,0]=4 11941 B13R1.369 Nc1ccc(c(c1)F)OCCCF 7a_100011220035_100011934791 [0,2,0,0,0,0|2,0,0]=4 11942 B13R1.369 Nc1ccc(c(c1)F)OCCCO 34a_100011220035_100000230001 [0,2,0,0,0,0|2,0,0]=4 11943 B13R1.369 Nc1ccc(c(c1)F)OCCCO 7a_100011220035_100011215043 [0,2,0,0,0,0|2,0,0]=4 11944 B13R1.369 Nc1ccc(c(c1)F)SCCCF 62a_100011356925_100011934791 [0,2,0,0,0,0|2,0,0]=4 11945 B13R1.369 Nc1ccc(c(c1)F)SCCCF 62a_100011934791_100011356925 [0,2,0,0,0,0|2,0,0]=4 11946 B13R1.369 Nc1ccc(c(c1)F)SCCCO 62a_100011215043_100011356925 [0,2,0,0,0,0|2,0,0]=4 11947 B13R1.369 Nc1ccc(c(c1)F)SCCCO 62a_100011356925_100011215043 [0,2,0,0,0,0|2,0,0]=4 11948 B13R1.369 Nc1ccc(c(c1)N)OCCCF 34a_100000725306_100011934791 [0,2,0,0,0,0|2,0,0]=4 11949 B13R1.369 Nc1ccc(c(c1)N)OCCCO 34a_100000725306_100000230001 [0,2,0,0,0,0|2,0,0]=4 11950 B13R1.369 Nc1ccc(c(c1)N)SCCCF 62a_100011934791_200012175722 [0,2,0,0,0,0|2,0,0]=4 11951 B13R1.369 Nc1ccc(c(c1)N)SCCCF 62a_200012175722_100011934791 [0,2,0,0,0,0|2,0,0]=4 11952 B13R1.369 Nc1ccc(c(c1)N)SCCCO 62a_100011215043_200012175722 [0,2,0,0,0,0|2,0,0]=4 11953 B13R1.369 Nc1ccc(c(c1)N)SCCCO 62a_200012175722_100011215043 [0,2,0,0,0,0|2,0,0]=4 11954 B13R1.369 OCCCNc1ccc(cc1Br)Br 34a_100000211012_100000230001 [0,2,0,0,0,0|2,0,0]=4 11955 B13R1.369 OCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000230001 [0,2,0,0,0,0|2,0,0]=4 11956 B13R1.369 OCCCNc1ccc(cc1Br)F 34a_100000738039_100000230001 [0,2,0,0,0,0|2,0,0]=4 11957 B13R1.369 OCCCNc1ccc(cc1Br)O 34a_100012001276_100000230001 [0,2,0,0,0,0|2,0,0]=4 11958 B13R1.369 OCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000230001 [0,2,0,0,0,0|2,0,0]=4 11959 B13R1.369 OCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000230001 [0,2,0,0,0,0|2,0,0]=4 11960 B13R1.369 OCCCNc1ccc(cc1Cl)F 34a_100000212003_100000230001 [0,2,0,0,0,0|2,0,0]=4 11961 B13R1.369 OCCCNc1ccc(cc1Cl)I 34a_100011218065_100000230001 [0,2,0,0,0,0|2,0,0]=4 11962 B13R1.369 OCCCNc1ccc(cc1Cl)O 34a_100011215599_100000230001 [0,2,0,0,0,0|2,0,0]=4 11963 B13R1.369 OCCCNc1ccc(cc1F)Br 34a_100000210722_100000230001 [0,2,0,0,0,0|2,0,0]=4 11964 B13R1.369 OCCCNc1ccc(cc1F)Cl 34a_100000211020_100000230001 [0,2,0,0,0,0|2,0,0]=4 11965 B13R1.369 OCCCNc1ccc(cc1F)F 34a_100000210720_100000230001 [0,2,0,0,0,0|2,0,0]=4 11966 B13R1.369 OCCCNc1ccc(cc1F)I 34a_100011215594_100000230001 [0,2,0,0,0,0|2,0,0]=4 11967 B13R1.369 OCCCNc1ccc(cc1F)O 34a_100000759473_100000230001 [0,2,0,0,0,0|2,0,0]=4 11968 B13R1.369 OCCCNc1ccc(cc1I)Br 34a_100000187925_100000230001 [0,2,0,0,0,0|2,0,0]=4 11969 B13R1.369 OCCCNc1ccc(cc1I)Cl 34a_100000761889_100000230001 [0,2,0,0,0,0|2,0,0]=4 11970 B13R1.369 OCCCNc1ccc(cc1I)F 34a_100000760547_100000230001 [0,2,0,0,0,0|2,0,0]=4 11971 B13R1.369 OCCCNc1ccc(cc1I)O 34a_100010084370_100000230001 [0,2,0,0,0,0|2,0,0]=4 11972 B13R1.369 OCCCNc1ccc(cc1O)Br 34a_100000739049_100000230001 [0,2,0,0,0,0|2,0,0]=4 11973 B13R1.369 OCCCNc1ccc(cc1O)Cl 34a_100000185728_100000230001 [0,2,0,0,0,0|2,0,0]=4 11974 B13R1.369 OCCCNc1ccc(cc1O)F 34a_100000753323_100000230001 [0,2,0,0,0,0|2,0,0]=4 11975 B13R1.369 OCCCNc1ccc(cc1O)O 34a_100000106777_100000230001 [0,2,0,0,0,0|2,0,0]=4 11976 B13R1.369 OCCCOc1ccc(cc1Br)Br 34a_100000188717_100000230001 [0,2,0,0,0,0|2,0,0]=4 11977 B13R1.369 OCCCOc1ccc(cc1Br)Br 7a_100000188717_100011215043 [0,2,0,0,0,0|2,0,0]=4 11978 B13R1.369 OCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000230001 [0,2,0,0,0,0|2,0,0]=4 11979 B13R1.369 OCCCOc1ccc(cc1Br)Cl 7a_100000211998_100011215043 [0,2,0,0,0,0|2,0,0]=4 11980 B13R1.369 OCCCOc1ccc(cc1Br)F 34a_100000211999_100000230001 [0,2,0,0,0,0|2,0,0]=4 11981 B13R1.369 OCCCOc1ccc(cc1Br)F 7a_100000211999_100011215043 [0,2,0,0,0,0|2,0,0]=4 11982 B13R1.369 OCCCOc1ccc(cc1Br)I 34a_100012361655_100000230001 [0,2,0,0,0,0|2,0,0]=4 11983 B13R1.369 OCCCOc1ccc(cc1Br)I 7a_100012361655_100011215043 [0,2,0,0,0,0|2,0,0]=4 11984 B13R1.369 OCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000230001 [0,2,0,0,0,0|2,0,0]=4 11985 B13R1.369 OCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011215043 [0,2,0,0,0,0|2,0,0]=4 11986 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000230001 [0,2,0,0,0,0|2,0,0]=4 11987 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215043 [0,2,0,0,0,0|2,0,0]=4 11988 B13R1.369 OCCCOc1ccc(cc1Cl)F 34a_100000212004_100000230001 [0,2,0,0,0,0|2,0,0]=4 11989 B13R1.369 OCCCOc1ccc(cc1Cl)F 7a_100000212004_100011215043 [0,2,0,0,0,0|2,0,0]=4 11990 B13R1.369 OCCCOc1ccc(cc1Cl)I 34a_100012360047_100000230001 [0,2,0,0,0,0|2,0,0]=4 11991 B13R1.369 OCCCOc1ccc(cc1Cl)I 7a_100012360047_100011215043 [0,2,0,0,0,0|2,0,0]=4 11992 B13R1.369 OCCCOc1ccc(cc1F)Br 34a_100000185481_100000230001 [0,2,0,0,0,0|2,0,0]=4 11993 B13R1.369 OCCCOc1ccc(cc1F)Br 7a_100000185481_100011215043 [0,2,0,0,0,0|2,0,0]=4 11994 B13R1.369 OCCCOc1ccc(cc1F)Cl 34a_100000230166_100000230001 [0,2,0,0,0,0|2,0,0]=4 11995 B13R1.369 OCCCOc1ccc(cc1F)Cl 7a_100000230166_100011215043 [0,2,0,0,0,0|2,0,0]=4 11996 B13R1.369 OCCCOc1ccc(cc1F)F 34a_100000230127_100000230001 [0,2,0,0,0,0|2,0,0]=4 11997 B13R1.369 OCCCOc1ccc(cc1F)F 7a_100000230127_100011215043 [0,2,0,0,0,0|2,0,0]=4 11998 B13R1.369 OCCCOc1ccc(cc1F)I 34a_100011356965_100000230001 [0,2,0,0,0,0|2,0,0]=4 11999 B13R1.369 OCCCOc1ccc(cc1F)I 7a_100011356965_100011215043 [0,2,0,0,0,0|2,0,0]=4 12000 B13R1.369 OCCCOc1ccc(cc1I)Br 34a_100012355227_100000230001 [0,2,0,0,0,0|2,0,0]=4 12001 B13R1.369 OCCCOc1ccc(cc1I)Br 7a_100012355227_100011215043 [0,2,0,0,0,0|2,0,0]=4 12002 B13R1.369 OCCCOc1ccc(cc1I)Cl 34a_100011356953_100000230001 [0,2,0,0,0,0|2,0,0]=4 12003 B13R1.369 OCCCOc1ccc(cc1I)Cl 7a_100011356953_100011215043 [0,2,0,0,0,0|2,0,0]=4 12004 B13R1.369 OCCCOc1ccc(cc1I)F 34a_100012355409_100000230001 [0,2,0,0,0,0|2,0,0]=4 12005 B13R1.369 OCCCOc1ccc(cc1I)F 7a_100012355409_100011215043 [0,2,0,0,0,0|2,0,0]=4 12006 B13R1.369 OCCCOc1ccc(cc1I)I 7a_100010001573_100011215043 [0,2,0,0,0,0|2,0,0]=4 12007 B13R1.369 OCCCSc1ccc(cc1Br)Br 62a_100011215043_100011484698 [0,2,0,0,0,0|2,0,0]=4 12008 B13R1.369 OCCCSc1ccc(cc1Br)Br 62a_100011484698_100011215043 [0,2,0,0,0,0|2,0,0]=4 12009 B13R1.369 OCCCSc1ccc(cc1Br)Cl 62a_100011215043_100011219703 [0,2,0,0,0,0|2,0,0]=4 12010 B13R1.369 OCCCSc1ccc(cc1Br)Cl 62a_100011219703_100011215043 [0,2,0,0,0,0|2,0,0]=4 12011 B13R1.369 OCCCSc1ccc(cc1Br)F 62a_100011215043_100011217111 [0,2,0,0,0,0|2,0,0]=4 12012 B13R1.369 OCCCSc1ccc(cc1Br)F 62a_100011217111_100011215043 [0,2,0,0,0,0|2,0,0]=4 12013 B13R1.369 OCCCSc1ccc(cc1Br)O 62a_100000701344_100011215043 [0,2,0,0,0,0|2,0,0]=4 12014 B13R1.369 OCCCSc1ccc(cc1Br)O 62a_100011215043_100000701344 [0,2,0,0,0,0|2,0,0]=4 12015 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011215043_100011216062 [0,2,0,0,0,0|2,0,0]=4 12016 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011216062_100011215043 [0,2,0,0,0,0|2,0,0]=4 12017 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215043 [0,2,0,0,0,0|2,0,0]=4 12018 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100011215043_100000699841 [0,2,0,0,0,0|2,0,0]=4 12019 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100000733362_100011215043 [0,2,0,0,0,0|2,0,0]=4 12020 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100011215043_100000733362 [0,2,0,0,0,0|2,0,0]=4 12021 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100000047559_100011215043 [0,2,0,0,0,0|2,0,0]=4 12022 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100011215043_100000047559 [0,2,0,0,0,0|2,0,0]=4 12023 B13R1.369 OCCCSc1ccc(cc1F)Br 62a_100009814013_100011215043 [0,2,0,0,0,0|2,0,0]=4 12024 B13R1.369 OCCCSc1ccc(cc1F)Br 62a_100011215043_100009814013 [0,2,0,0,0,0|2,0,0]=4 12025 B13R1.369 OCCCSc1ccc(cc1F)Cl 62a_100011215043_100011216042 [0,2,0,0,0,0|2,0,0]=4 12026 B13R1.369 OCCCSc1ccc(cc1F)Cl 62a_100011216042_100011215043 [0,2,0,0,0,0|2,0,0]=4 12027 B13R1.369 OCCCSc1ccc(cc1F)F 62a_100000750030_100011215043 [0,2,0,0,0,0|2,0,0]=4 12028 B13R1.369 OCCCSc1ccc(cc1F)F 62a_100011215043_100000750030 [0,2,0,0,0,0|2,0,0]=4 12029 B13R1.369 OCCCSc1ccc(cc1F)O 62a_100000755031_100011215043 [0,2,0,0,0,0|2,0,0]=4 12030 B13R1.369 OCCCSc1ccc(cc1F)O 62a_100011215043_100000755031 [0,2,0,0,0,0|2,0,0]=4 12031 B13R1.369 OCCCSc1ccc(cc1O)Br 62a_100011215043_100012344904 [0,2,0,0,0,0|2,0,0]=4 12032 B13R1.369 OCCCSc1ccc(cc1O)Br 62a_100012344904_100011215043 [0,2,0,0,0,0|2,0,0]=4 12033 B13R1.369 OCCCSc1ccc(cc1O)Cl 62a_100000050036_100011215043 [0,2,0,0,0,0|2,0,0]=4 12034 B13R1.369 OCCCSc1ccc(cc1O)Cl 62a_100011215043_100000050036 [0,2,0,0,0,0|2,0,0]=4 12035 B13R1.369 OCCCSc1ccc(cc1O)F 62a_100000690578_100011215043 [0,2,0,0,0,0|2,0,0]=4 12036 B13R1.369 OCCCSc1ccc(cc1O)F 62a_100011215043_100000690578 [0,2,0,0,0,0|2,0,0]=4 12037 B13R1.369 OCCCSc1ccc(cc1O)O 62a_100011215043_100009813921 [0,2,0,0,0,0|2,0,0]=4 12038 B13R1.369 OCCNCc1ccc(cc1Br)Br 207a_100000210304_100012351556 [0,2,0,0,0,0|2,0,0]=4 12039 B13R1.369 OCCNCc1ccc(cc1Br)Br 2230a_100016997473_200012351560 [0,2,0,0,0,0|2,0,0]=4 12040 B13R1.369 OCCNCc1ccc(cc1Br)Br 270004a_100000210304_100012351556 [0,2,0,0,0,0|2,0,0]=4 12041 B13R1.369 OCCNCc1ccc(cc1Br)Br 34a_100016990907_200012351560 [0,2,0,0,0,0|2,0,0]=4 12042 B13R1.369 OCCNCc1ccc(cc1Br)Cl 207a_100000210304_100000687667 [0,2,0,0,0,0|2,0,0]=4 12043 B13R1.369 OCCNCc1ccc(cc1Br)Cl 2230a_100016997473_100000755608 [0,2,0,0,0,0|2,0,0]=4 12044 B13R1.369 OCCNCc1ccc(cc1Br)Cl 270004a_100000210304_100000687667 [0,2,0,0,0,0|2,0,0]=4 12045 B13R1.369 OCCNCc1ccc(cc1Br)Cl 34a_100016990907_100000755608 [0,2,0,0,0,0|2,0,0]=4 12046 B13R1.369 OCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000211926 [0,2,0,0,0,0|2,0,0]=4 12047 B13R1.369 OCCNCc1ccc(cc1Br)F 207a_100000210304_100000685661 [0,2,0,0,0,0|2,0,0]=4 12048 B13R1.369 OCCNCc1ccc(cc1Br)F 2230a_100016997473_100000243222 [0,2,0,0,0,0|2,0,0]=4 12049 B13R1.369 OCCNCc1ccc(cc1Br)F 270004a_100000210304_100000685661 [0,2,0,0,0,0|2,0,0]=4 12050 B13R1.369 OCCNCc1ccc(cc1Br)F 34a_100000708791_100000211926 [0,2,0,0,0,0|2,0,0]=4 12051 B13R1.369 OCCNCc1ccc(cc1Br)F 34a_100016990907_100000243222 [0,2,0,0,0,0|2,0,0]=4 12052 B13R1.369 OCCNCc1ccc(cc1Br)I 207a_100000210304_100010185650 [0,2,0,0,0,0|2,0,0]=4 12053 B13R1.369 OCCNCc1ccc(cc1Br)I 2230a_100016997473_100010146610 [0,2,0,0,0,0|2,0,0]=4 12054 B13R1.369 OCCNCc1ccc(cc1Br)I 34a_100016990907_100010146610 [0,2,0,0,0,0|2,0,0]=4 12055 B13R1.369 OCCNCc1ccc(cc1Cl)Br 207a_100000210304_100000764164 [0,2,0,0,0,0|2,0,0]=4 12056 B13R1.369 OCCNCc1ccc(cc1Cl)Br 2230a_100016997473_100011740631 [0,2,0,0,0,0|2,0,0]=4 12057 B13R1.369 OCCNCc1ccc(cc1Cl)Br 270004a_100000210304_100000764164 [0,2,0,0,0,0|2,0,0]=4 12058 B13R1.369 OCCNCc1ccc(cc1Cl)Br 34a_100016990907_100011740631 [0,2,0,0,0,0|2,0,0]=4 12059 B13R1.369 OCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000211926 [0,2,0,0,0,0|2,0,0]=4 12060 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 207a_100000210304_100000188887 [0,2,0,0,0,0|2,0,0]=4 12061 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 2230a_100016997473_100000188473 [0,2,0,0,0,0|2,0,0]=4 12062 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 270004a_100000210304_100000188887 [0,2,0,0,0,0|2,0,0]=4 12063 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000211926 [0,2,0,0,0,0|2,0,0]=4 12064 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100016990907_100000188473 [0,2,0,0,0,0|2,0,0]=4 12065 B13R1.369 OCCNCc1ccc(cc1Cl)F 207a_100000210304_100000752949 [0,2,0,0,0,0|2,0,0]=4 12066 B13R1.369 OCCNCc1ccc(cc1Cl)F 2230a_100016997473_100011216360 [0,2,0,0,0,0|2,0,0]=4 12067 B13R1.369 OCCNCc1ccc(cc1Cl)F 270004a_100000210304_100000752949 [0,2,0,0,0,0|2,0,0]=4 12068 B13R1.369 OCCNCc1ccc(cc1Cl)F 34a_100000174946_100000211926 [0,2,0,0,0,0|2,0,0]=4 12069 B13R1.369 OCCNCc1ccc(cc1Cl)F 34a_100016990907_100011216360 [0,2,0,0,0,0|2,0,0]=4 12070 B13R1.369 OCCNCc1ccc(cc1Cl)I 207a_100000210304_100000727542 [0,2,0,0,0,0|2,0,0]=4 12071 B13R1.369 OCCNCc1ccc(cc1Cl)O 34a_200161156549_100000211926 [0,2,0,0,0,0|2,0,0]=4 12072 B13R1.369 OCCNCc1ccc(cc1F)Br 207a_100000210304_100000211676 [0,2,0,0,0,0|2,0,0]=4 12073 B13R1.369 OCCNCc1ccc(cc1F)Br 2230a_100016997473_100000211606 [0,2,0,0,0,0|2,0,0]=4 12074 B13R1.369 OCCNCc1ccc(cc1F)Br 270004a_100000210304_100000211676 [0,2,0,0,0,0|2,0,0]=4 12075 B13R1.369 OCCNCc1ccc(cc1F)Br 34a_100000754580_100000211926 [0,2,0,0,0,0|2,0,0]=4 12076 B13R1.369 OCCNCc1ccc(cc1F)Br 34a_100016990907_100000211606 [0,2,0,0,0,0|2,0,0]=4 12077 B13R1.369 OCCNCc1ccc(cc1F)Cl 207a_100000210304_100000697372 [0,2,0,0,0,0|2,0,0]=4 12078 B13R1.369 OCCNCc1ccc(cc1F)Cl 2230a_100016997473_100000709361 [0,2,0,0,0,0|2,0,0]=4 12079 B13R1.369 OCCNCc1ccc(cc1F)Cl 270004a_100000210304_100000697372 [0,2,0,0,0,0|2,0,0]=4 12080 B13R1.369 OCCNCc1ccc(cc1F)Cl 34a_100000708496_100000211926 [0,2,0,0,0,0|2,0,0]=4 12081 B13R1.369 OCCNCc1ccc(cc1F)Cl 34a_100016990907_100000709361 [0,2,0,0,0,0|2,0,0]=4 12082 B13R1.369 OCCNCc1ccc(cc1F)F 207a_100000210304_100000211964 [0,2,0,0,0,0|2,0,0]=4 12083 B13R1.369 OCCNCc1ccc(cc1F)F 2230a_100016997473_100000748237 [0,2,0,0,0,0|2,0,0]=4 12084 B13R1.369 OCCNCc1ccc(cc1F)F 270004a_100000210304_100000211964 [0,2,0,0,0,0|2,0,0]=4 12085 B13R1.369 OCCNCc1ccc(cc1F)F 34a_100000737868_100000211926 [0,2,0,0,0,0|2,0,0]=4 12086 B13R1.369 OCCNCc1ccc(cc1F)F 34a_100016990907_100000748237 [0,2,0,0,0,0|2,0,0]=4 12087 B13R1.369 OCCNCc1ccc(cc1F)I 207a_100000210304_100000050965 [0,2,0,0,0,0|2,0,0]=4 12088 B13R1.369 OCCNCc1ccc(cc1F)I 2230a_100016997473_100010244991 [0,2,0,0,0,0|2,0,0]=4 12089 B13R1.369 OCCNCc1ccc(cc1F)I 34a_100016990907_100010244991 [0,2,0,0,0,0|2,0,0]=4 12090 B13R1.369 OCCNCc1ccc(cc1I)Br 207a_100000210304_100010146562 [0,2,0,0,0,0|2,0,0]=4 12091 B13R1.369 OCCNCc1ccc(cc1I)Br 2230a_100016997473_100010146615 [0,2,0,0,0,0|2,0,0]=4 12092 B13R1.369 OCCNCc1ccc(cc1I)Br 270004a_100000210304_100010146562 [0,2,0,0,0,0|2,0,0]=4 12093 B13R1.369 OCCNCc1ccc(cc1I)Br 34a_100016990907_100010146615 [0,2,0,0,0,0|2,0,0]=4 12094 B13R1.369 OCCNCc1ccc(cc1I)Cl 2230a_100016997473_100010254388 [0,2,0,0,0,0|2,0,0]=4 12095 B13R1.369 OCCNCc1ccc(cc1I)Cl 34a_100016990907_100010254388 [0,2,0,0,0,0|2,0,0]=4 12096 B13R1.369 OCCNCc1ccc(cc1I)F 207a_100000210304_100010254405 [0,2,0,0,0,0|2,0,0]=4 12097 B13R1.369 OCCNCc1ccc(cc1I)F 2230a_100016997473_100012354799 [0,2,0,0,0,0|2,0,0]=4 12098 B13R1.369 OCCNCc1ccc(cc1I)F 34a_100016990907_100012354799 [0,2,0,0,0,0|2,0,0]=4 12099 B13R1.369 OCCOCc1ccc(cc1Br)Br 34a_100012357508_100000211926 [0,2,0,0,0,0|2,0,0]=4 12100 B13R1.369 OCCOCc1ccc(cc1Br)Br 7a_100012357508_100000211926 [0,2,0,0,0,0|2,0,0]=4 12101 B13R1.369 OCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000211926 [0,2,0,0,0,0|2,0,0]=4 12102 B13R1.369 OCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000211926 [0,2,0,0,0,0|2,0,0]=4 12103 B13R1.369 OCCOCc1ccc(cc1Br)F 34a_100000744086_100000211926 [0,2,0,0,0,0|2,0,0]=4 12104 B13R1.369 OCCOCc1ccc(cc1Br)F 7a_100000744086_100000211926 [0,2,0,0,0,0|2,0,0]=4 12105 B13R1.369 OCCOCc1ccc(cc1Br)I 7a_100010240206_100000211926 [0,2,0,0,0,0|2,0,0]=4 12106 B13R1.369 OCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000211926 [0,2,0,0,0,0|2,0,0]=4 12107 B13R1.369 OCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000211926 [0,2,0,0,0,0|2,0,0]=4 12108 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000211926 [0,2,0,0,0,0|2,0,0]=4 12109 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000211926 [0,2,0,0,0,0|2,0,0]=4 12110 B13R1.369 OCCOCc1ccc(cc1Cl)F 34a_100011219954_100000211926 [0,2,0,0,0,0|2,0,0]=4 12111 B13R1.369 OCCOCc1ccc(cc1Cl)F 7a_100011219954_100000211926 [0,2,0,0,0,0|2,0,0]=4 12112 B13R1.369 OCCOCc1ccc(cc1F)Br 34a_100011191541_100000211926 [0,2,0,0,0,0|2,0,0]=4 12113 B13R1.369 OCCOCc1ccc(cc1F)Br 7a_100011191541_100000211926 [0,2,0,0,0,0|2,0,0]=4 12114 B13R1.369 OCCOCc1ccc(cc1F)Cl 34a_100011217562_100000211926 [0,2,0,0,0,0|2,0,0]=4 12115 B13R1.369 OCCOCc1ccc(cc1F)Cl 7a_100011217562_100000211926 [0,2,0,0,0,0|2,0,0]=4 12116 B13R1.369 OCCOCc1ccc(cc1F)F 34a_100011215441_100000211926 [0,2,0,0,0,0|2,0,0]=4 12117 B13R1.369 OCCOCc1ccc(cc1F)F 7a_100011215441_100000211926 [0,2,0,0,0,0|2,0,0]=4 12118 B13R1.369 OCCOCc1ccc(cc1F)I 34a_200010202041_100000211926 [0,2,0,0,0,0|2,0,0]=4 12119 B13R1.369 OCCOCc1ccc(cc1F)I 7a_200010202041_100000211926 [0,2,0,0,0,0|2,0,0]=4 12120 B13R1.369 OCCOCc1ccc(cc1I)Br 7a_100010146605_100000211926 [0,2,0,0,0,0|2,0,0]=4 12121 B13R1.369 OCCOCc1ccc(cc1I)Cl 34a_100000722340_100000211926 [0,2,0,0,0,0|2,0,0]=4 12122 B13R1.369 OCCOCc1ccc(cc1I)Cl 7a_100000722340_100000211926 [0,2,0,0,0,0|2,0,0]=4 12123 B13R1.369 OCCOCc1ccc(cc1I)F 34a_100011356828_100000211926 [0,2,0,0,0,0|2,0,0]=4 12124 B13R1.369 OCCOCc1ccc(cc1I)F 7a_100011356828_100000211926 [0,2,0,0,0,0|2,0,0]=4 12125 B13R1.369 OCCSCc1ccc(cc1Br)Br 62a_100000211926_200012351560 [0,2,0,0,0,0|2,0,0]=4 12126 B13R1.369 OCCSCc1ccc(cc1Br)Br 62a_200012351560_100000211926 [0,2,0,0,0,0|2,0,0]=4 12127 B13R1.369 OCCSCc1ccc(cc1Br)Cl 62a_100000211926_100000755608 [0,2,0,0,0,0|2,0,0]=4 12128 B13R1.369 OCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000211926 [0,2,0,0,0,0|2,0,0]=4 12129 B13R1.369 OCCSCc1ccc(cc1Br)F 62a_100000211926_100000243222 [0,2,0,0,0,0|2,0,0]=4 12130 B13R1.369 OCCSCc1ccc(cc1Br)F 62a_100000243222_100000211926 [0,2,0,0,0,0|2,0,0]=4 12131 B13R1.369 OCCSCc1ccc(cc1Br)I 62a_100000211926_100010146610 [0,2,0,0,0,0|2,0,0]=4 12132 B13R1.369 OCCSCc1ccc(cc1Br)I 62a_100010146610_100000211926 [0,2,0,0,0,0|2,0,0]=4 12133 B13R1.369 OCCSCc1ccc(cc1Cl)Br 62a_100000211926_100011740631 [0,2,0,0,0,0|2,0,0]=4 12134 B13R1.369 OCCSCc1ccc(cc1Cl)Br 62a_100011740631_100000211926 [0,2,0,0,0,0|2,0,0]=4 12135 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000211926 [0,2,0,0,0,0|2,0,0]=4 12136 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000211926_100000188473 [0,2,0,0,0,0|2,0,0]=4 12137 B13R1.369 OCCSCc1ccc(cc1Cl)F 62a_100000187853_100000211926 [0,2,0,0,0,0|2,0,0]=4 12138 B13R1.369 OCCSCc1ccc(cc1Cl)F 62a_100000211926_100000187853 [0,2,0,0,0,0|2,0,0]=4 12139 B13R1.369 OCCSCc1ccc(cc1F)Br 62a_100000211606_100000211926 [0,2,0,0,0,0|2,0,0]=4 12140 B13R1.369 OCCSCc1ccc(cc1F)Br 62a_100000211926_100000211606 [0,2,0,0,0,0|2,0,0]=4 12141 B13R1.369 OCCSCc1ccc(cc1F)Cl 62a_100000211926_100000709361 [0,2,0,0,0,0|2,0,0]=4 12142 B13R1.369 OCCSCc1ccc(cc1F)Cl 62a_100000709361_100000211926 [0,2,0,0,0,0|2,0,0]=4 12143 B13R1.369 OCCSCc1ccc(cc1F)F 62a_100000211926_100000748237 [0,2,0,0,0,0|2,0,0]=4 12144 B13R1.369 OCCSCc1ccc(cc1F)F 62a_100000748237_100000211926 [0,2,0,0,0,0|2,0,0]=4 12145 B13R1.369 OCCSCc1ccc(cc1F)I 62a_100000211926_100010244991 [0,2,0,0,0,0|2,0,0]=4 12146 B13R1.369 OCCSCc1ccc(cc1F)I 62a_100010244991_100000211926 [0,2,0,0,0,0|2,0,0]=4 12147 B13R1.369 OCCSCc1ccc(cc1I)Br 62a_100000211926_100010146615 [0,2,0,0,0,0|2,0,0]=4 12148 B13R1.369 OCCSCc1ccc(cc1I)Br 62a_100010146615_100000211926 [0,2,0,0,0,0|2,0,0]=4 12149 B13R1.369 OCCSCc1ccc(cc1I)Cl 62a_100000211926_100010254388 [0,2,0,0,0,0|2,0,0]=4 12150 B13R1.369 OCCSCc1ccc(cc1I)Cl 62a_100010254388_100000211926 [0,2,0,0,0,0|2,0,0]=4 12151 B13R1.369 OCCSCc1ccc(cc1I)F 62a_100000211926_100012354799 [0,2,0,0,0,0|2,0,0]=4 12152 B13R1.369 OCCSCc1ccc(cc1I)F 62a_100012354799_100000211926 [0,2,0,0,0,0|2,0,0]=4 12153 B13R1.369 Oc1cc(ccc1NCCCF)Br 34a_100000739049_100011934791 [0,2,0,0,0,0|2,0,0]=4 12154 B13R1.369 Oc1cc(ccc1NCCCF)Cl 34a_100000185728_100011934791 [0,2,0,0,0,0|2,0,0]=4 12155 B13R1.369 Oc1cc(ccc1NCCCF)F 34a_100000753323_100011934791 [0,2,0,0,0,0|2,0,0]=4 12156 B13R1.369 Oc1cc(ccc1SCCCF)Br 62a_100011934791_100012344904 [0,2,0,0,0,0|2,0,0]=4 12157 B13R1.369 Oc1cc(ccc1SCCCF)Br 62a_100012344904_100011934791 [0,2,0,0,0,0|2,0,0]=4 12158 B13R1.369 Oc1cc(ccc1SCCCF)Cl 62a_100000050036_100011934791 [0,2,0,0,0,0|2,0,0]=4 12159 B13R1.369 Oc1cc(ccc1SCCCF)Cl 62a_100011934791_100000050036 [0,2,0,0,0,0|2,0,0]=4 12160 B13R1.369 Oc1cc(ccc1SCCCF)F 62a_100000690578_100011934791 [0,2,0,0,0,0|2,0,0]=4 12161 B13R1.369 Oc1cc(ccc1SCCCF)F 62a_100011934791_100000690578 [0,2,0,0,0,0|2,0,0]=4 12162 B13R1.369 Oc1ccc(c(c1)Br)NCCCF 34a_100012001276_100011934791 [0,2,0,0,0,0|2,0,0]=4 12163 B13R1.369 Oc1ccc(c(c1)Br)SCCCF 62a_100000701344_100011934791 [0,2,0,0,0,0|2,0,0]=4 12164 B13R1.369 Oc1ccc(c(c1)Br)SCCCF 62a_100011934791_100000701344 [0,2,0,0,0,0|2,0,0]=4 12165 B13R1.369 Oc1ccc(c(c1)Cl)CNCCF 34a_200161156549_100011217306 [0,2,0,0,0,0|2,0,0]=4 12166 B13R1.369 Oc1ccc(c(c1)Cl)NCCCF 34a_100011215599_100011934791 [0,2,0,0,0,0|2,0,0]=4 12167 B13R1.369 Oc1ccc(c(c1)Cl)SCCCF 62a_100000047559_100011934791 [0,2,0,0,0,0|2,0,0]=4 12168 B13R1.369 Oc1ccc(c(c1)Cl)SCCCF 62a_100011934791_100000047559 [0,2,0,0,0,0|2,0,0]=4 12169 B13R1.369 Oc1ccc(c(c1)F)NCCCF 34a_100000759473_100011934791 [0,2,0,0,0,0|2,0,0]=4 12170 B13R1.369 Oc1ccc(c(c1)F)SCCCF 62a_100000755031_100011934791 [0,2,0,0,0,0|2,0,0]=4 12171 B13R1.369 Oc1ccc(c(c1)F)SCCCF 62a_100011934791_100000755031 [0,2,0,0,0,0|2,0,0]=4 12172 B13R1.369 Oc1ccc(c(c1)I)NCCCF 34a_100010084370_100011934791 [0,2,0,0,0,0|2,0,0]=4 12173 B13R1.369 Oc1ccc(c(c1)O)NCCCF 34a_100000106777_100011934791 [0,2,0,0,0,0|2,0,0]=4 12174 B13R1.369 Oc1ccc(c(c1)O)SCCCF 62a_100011934791_100009813921 [0,2,0,0,0,0|2,0,0]=4 12175 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 34a_200011713141_200025704644 [0,2,0,0,0,0|2,0,0]=4 12176 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 7a_200011713141_200025704644 [0,2,0,0,0,0|2,0,0]=4 12177 B13R1.371 C#Cc1ccc(cc1)CNCCC 207a_100020643023_100011361452 [0,2,0,0,0,0|2,0,0]=4 12178 B13R1.371 C#Cc1ccc(cc1)CNCCC 2230a_100015199678_100000210303 [0,2,0,0,0,0|2,0,0]=4 12179 B13R1.371 C#Cc1ccc(cc1)CNCCC 270004a_100020643023_100011361452 [0,2,0,0,0,0|2,0,0]=4 12180 B13R1.371 C#Cc1ccc(cc1)CNCCC 34a_100015199678_100000210303 [0,2,0,0,0,0|2,0,0]=4 12181 B13R1.371 C#Cc1ccc(cc1)CNCCF 2230a_100015199678_100011217306 [0,2,0,0,0,0|2,0,0]=4 12182 B13R1.371 C#Cc1ccc(cc1)CNCCF 34a_100000724931_100000140223 [0,2,0,0,0,0|2,0,0]=4 12183 B13R1.371 C#Cc1ccc(cc1)CNCCF 34a_100015199678_100011217306 [0,2,0,0,0,0|2,0,0]=4 12184 B13R1.371 C#Cc1ccc(cc1)CNCCO 207a_100000210304_100011361452 [0,2,0,0,0,0|2,0,0]=4 12185 B13R1.371 C#Cc1ccc(cc1)CNCCO 2230a_100015199678_100000211926 [0,2,0,0,0,0|2,0,0]=4 12186 B13R1.371 C#Cc1ccc(cc1)CNCCO 2230a_100016997473_100000140223 [0,2,0,0,0,0|2,0,0]=4 12187 B13R1.371 C#Cc1ccc(cc1)CNCCO 270004a_100000210304_100011361452 [0,2,0,0,0,0|2,0,0]=4 12188 B13R1.371 C#Cc1ccc(cc1)CNCCO 34a_100015199678_100000211926 [0,2,0,0,0,0|2,0,0]=4 12189 B13R1.371 C#Cc1ccc(cc1)CNCCO 34a_100016990907_100000140223 [0,2,0,0,0,0|2,0,0]=4 12190 B13R1.371 C#Cc1ccc(cc1)COCCBr 34a_100000211926_100000140223 [0,2,0,0,0,0|2,0,0]=4 12191 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000054647_100000210303 [0,2,0,0,0,0|2,0,0]=4 12192 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000210258_100000140223 [0,2,0,0,0,0|2,0,0]=4 12193 B13R1.371 C#Cc1ccc(cc1)COCCC 7a_100000054647_100000210303 [0,2,0,0,0,0|2,0,0]=4 12194 B13R1.371 C#Cc1ccc(cc1)COCCF 34a_100000054647_100011217306 [0,2,0,0,0,0|2,0,0]=4 12195 B13R1.371 C#Cc1ccc(cc1)COCCF 7a_100000054647_100011217306 [0,2,0,0,0,0|2,0,0]=4 12196 B13R1.371 C#Cc1ccc(cc1)COCCN 34a_100000210304_100000140223 [0,2,0,0,0,0|1,0,0]=3 12197 B13R1.371 C#Cc1ccc(cc1)COCCO 34a_100000054647_100000211926 [0,2,0,0,0,0|2,0,0]=4 12198 B13R1.371 C#Cc1ccc(cc1)COCCO 7a_100000054647_100000211926 [0,2,0,0,0,0|2,0,0]=4 12199 B13R1.371 C#Cc1ccc(cc1)CSCCC 62a_100000210303_100000140223 [0,2,0,0,0,0|2,0,0]=4 12200 B13R1.371 C#Cc1ccc(cc1)CSCCF 62a_100011217306_100000140223 [0,2,0,0,0,0|2,0,0]=4 12201 B13R1.371 C#Cc1ccc(cc1)CSCCO 62a_100000211926_100000140223 [0,2,0,0,0,0|2,0,0]=4 12202 B13R1.371 C#Cc1ccc(cc1)NCCCC 34a_100011215031_100000210210 [0,2,0,0,0,0|2,0,0]=4 12203 B13R1.371 C#Cc1ccc(cc1)NCCCF 34a_100011215031_100011934791 [0,2,0,0,0,0|2,0,0]=4 12204 B13R1.371 C#Cc1ccc(cc1)NCCCO 34a_100011215031_100000230001 [0,2,0,0,0,0|2,0,0]=4 12205 B13R1.371 C=Cc1ccc(cc1)CCCCC 271570a_100011290941_100009813665 [0,2,0,0,0,0|1,0,0]=3 12206 B13R1.371 C=Cc1ccc(cc1)CCNCC 2230a_100015525214_100000142037 [0,2,0,0,0,0|2,0,0]=4 12207 B13R1.371 C=Cc1ccc(cc1)CCOCC 34a_100121572206_100000142037 [0,2,0,0,0,0|2,0,0]=4 12208 B13R1.371 C=Cc1ccc(cc1)CCSCC 62a_100000142037_100000210202 [0,2,0,0,0,0|2,0,0]=4 12209 B13R1.371 C=Cc1ccc(cc1)CCSCC 62a_100000210202_100000142037 [0,2,0,0,0,0|2,0,0]=4 12210 B13R1.371 C=Cc1ccc(cc1)CCSCF 62a_100000142037_100015361967 [0,2,0,0,0,0|2,0,0]=4 12211 B13R1.371 C=Cc1ccc(cc1)CCSCF 62a_100015361967_100000142037 [0,2,0,0,0,0|2,0,0]=4 12212 B13R1.371 C=Cc1ccc(cc1)CNCCC 270004a_100020643023_100011361436 [0,2,0,0,0,0|2,0,0]=4 12213 B13R1.371 C=Cc1ccc(cc1)CNCCC 34a_200011934891_100000210303 [0,2,0,0,0,0|2,0,0]=4 12214 B13R1.371 C=Cc1ccc(cc1)CNCCF 34a_100000724931_100000034074 [0,2,0,0,0,0|2,0,0]=4 12215 B13R1.371 C=Cc1ccc(cc1)CNCCF 34a_200011934891_100011217306 [0,2,0,0,0,0|2,0,0]=4 12216 B13R1.371 C=Cc1ccc(cc1)CNCCO 2230a_100016997473_100000034074 [0,2,0,0,0,0|2,0,0]=4 12217 B13R1.371 C=Cc1ccc(cc1)CNCCO 270004a_100000210304_100011361436 [0,2,0,0,0,0|2,0,0]=4 12218 B13R1.371 C=Cc1ccc(cc1)CNCCO 271570a_100011290941_100000186819 [0,2,0,0,0,0|2,0,0]=4 12219 B13R1.371 C=Cc1ccc(cc1)CNCCO 34a_100016990907_100000034074 [0,2,0,0,0,0|2,0,0]=4 12220 B13R1.371 C=Cc1ccc(cc1)CNCCO 34a_200011934891_100000211926 [0,2,0,0,0,0|2,0,0]=4 12221 B13R1.371 C=Cc1ccc(cc1)COCCBr 34a_100000211926_100000034074 [0,2,0,0,0,0|2,0,0]=4 12222 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000073583_100000210303 [0,2,0,0,0,0|2,0,0]=4 12223 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000210258_100000034074 [0,2,0,0,0,0|2,0,0]=4 12224 B13R1.371 C=Cc1ccc(cc1)COCCC 7a_100000073583_100000210303 [0,2,0,0,0,0|2,0,0]=4 12225 B13R1.371 C=Cc1ccc(cc1)COCCF 34a_100000073583_100011217306 [0,2,0,0,0,0|2,0,0]=4 12226 B13R1.371 C=Cc1ccc(cc1)COCCF 7a_100000073583_100011217306 [0,2,0,0,0,0|2,0,0]=4 12227 B13R1.371 C=Cc1ccc(cc1)COCCN 34a_100000210304_100000034074 [0,2,0,0,0,0|1,0,0]=3 12228 B13R1.371 C=Cc1ccc(cc1)COCCO 34a_100000073583_100000211926 [0,2,0,0,0,0|2,0,0]=4 12229 B13R1.371 C=Cc1ccc(cc1)COCCO 7a_100000073583_100000211926 [0,2,0,0,0,0|2,0,0]=4 12230 B13R1.371 C=Cc1ccc(cc1)CSCCC 62a_100000034074_100000210303 [0,2,0,0,0,0|2,0,0]=4 12231 B13R1.371 C=Cc1ccc(cc1)CSCCC 62a_100000210303_100000034074 [0,2,0,0,0,0|2,0,0]=4 12232 B13R1.371 C=Cc1ccc(cc1)CSCCF 62a_100000034074_100011217306 [0,2,0,0,0,0|2,0,0]=4 12233 B13R1.371 C=Cc1ccc(cc1)CSCCF 62a_100011217306_100000034074 [0,2,0,0,0,0|2,0,0]=4 12234 B13R1.371 C=Cc1ccc(cc1)CSCCO 62a_100000034074_100000211926 [0,2,0,0,0,0|2,0,0]=4 12235 B13R1.371 C=Cc1ccc(cc1)CSCCO 62a_100000211926_100000034074 [0,2,0,0,0,0|2,0,0]=4 12236 B13R1.371 C=Cc1ccc(cc1)NCCCC 34a_100011218248_100000210210 [0,2,0,0,0,0|2,0,0]=4 12237 B13R1.371 C=Cc1ccc(cc1)NCCCF 34a_100011218248_100011934791 [0,2,0,0,0,0|2,0,0]=4 12238 B13R1.371 C=Cc1ccc(cc1)NCCCO 34a_100011218248_100000230001 [0,2,0,0,0,0|2,0,0]=4 12239 B13R1.371 C=Cc1ccc(cc1)OCCCC 271570a_100011290941_100000230682 [0,2,0,0,0,0|2,0,0]=4 12240 B13R1.371 C=Cc1ccc(cc1)OCCCC 34a_100000189437_100000210210 [0,2,0,0,0,0|2,0,0]=4 12241 B13R1.371 C=Cc1ccc(cc1)OCCCC 7a_100000189437_100000210211 [0,2,0,0,0,0|2,0,0]=4 12242 B13R1.371 C=Cc1ccc(cc1)OCCCF 34a_100000189437_100011934791 [0,2,0,0,0,0|2,0,0]=4 12243 B13R1.371 C=Cc1ccc(cc1)OCCCF 7a_100000189437_100011934791 [0,2,0,0,0,0|2,0,0]=4 12244 B13R1.371 C=Cc1ccc(cc1)OCCCO 271570a_100011290941_100000756186 [0,2,0,0,0,0|2,0,0]=4 12245 B13R1.371 C=Cc1ccc(cc1)OCCCO 34a_100000189437_100000230001 [0,2,0,0,0,0|2,0,0]=4 12246 B13R1.371 C=Cc1ccc(cc1)OCCCO 7a_100000189437_100011215043 [0,2,0,0,0,0|2,0,0]=4 12247 B13R1.371 C=Cc1ccc(cc1)SCCCC 62a_100000210211_100000748128 [0,2,0,0,0,0|2,0,0]=4 12248 B13R1.371 C=Cc1ccc(cc1)SCCCC 62a_100000748128_100000210210 [0,2,0,0,0,0|2,0,0]=4 12249 B13R1.371 C=Cc1ccc(cc1)SCCCF 62a_100000748128_100011934791 [0,2,0,0,0,0|2,0,0]=4 12250 B13R1.371 C=Cc1ccc(cc1)SCCCF 62a_100011934791_100000748128 [0,2,0,0,0,0|2,0,0]=4 12251 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100000748128_100011215043 [0,2,0,0,0,0|2,0,0]=4 12252 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100011215043_100000748128 [0,2,0,0,0,0|2,0,0]=4 12253 B13R1.371 CCCCCc1ccc(cc1)NC 2230a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 12254 B13R1.371 CCCCCc1ccc(cc1)NC 34a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 12255 B13R1.371 CCCCCc1ccc(cc1)NC 7a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 12256 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 2230a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 12257 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 34a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 12258 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 7a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 12259 B13R1.371 CCCCCc1ccc(cc1)OC 34a_100000179804_200000210301 [0,2,0,0,0,0|1,0,0]=3 12260 B13R1.371 CCCCCc1ccc(cc1)OC 7a_100000179804_200000210301 [0,2,0,0,0,0|1,0,0]=3 12261 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 34a_100000179804_200025704644 [0,2,0,0,0,0|1,0,0]=3 12262 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 7a_100000179804_200025704644 [0,2,0,0,0,0|1,0,0]=3 12263 B13R1.371 CCCCCc1ccc(cc1)SC 62a_100009813665_200000210301 [0,2,0,0,0,0|1,0,0]=3 12264 B13R1.371 CCCCCc1ccc(cc1)SC 62a_200000210301_100009813665 [0,2,0,0,0,0|1,0,0]=3 12265 B13R1.371 CCCCCc1ccc(cc1)S[13CH3] 62a_100009813665_200025704644 [0,2,0,0,0,0|1,0,0]=3 12266 B13R1.371 CCCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100009813665 [0,2,0,0,0,0|1,0,0]=3 12267 B13R1.371 CCCCNc1ccc(cc1)C#N 34a_100000185469_100000210210 [0,2,0,0,0,0|2,0,0]=4 12268 B13R1.371 CCCCNc1ccc(cc1)CC 2230a_100000211069_100000210211 [0,2,0,0,0,0|2,0,0]=4 12269 B13R1.371 CCCCNc1ccc(cc1)CC 34a_100000211069_100000210210 [0,2,0,0,0,0|2,0,0]=4 12270 B13R1.371 CCCCNc1ccc(cc1)CO 2230a_100011215238_100000210211 [0,2,0,0,0,0|2,0,0]=4 12271 B13R1.371 CCCCNc1ccc(cc1)CO 34a_100011215238_100000210210 [0,2,0,0,0,0|2,0,0]=4 12272 B13R1.371 CCCCNc1ccc(cc1)OC 34a_100000184247_100000210210 [0,2,0,0,0,0|2,0,0]=4 12273 B13R1.371 CCCCNc1ccc(cc1)SC 34a_100000212337_100000210210 [0,2,0,0,0,0|2,0,0]=4 12274 B13R1.371 CCCCOc1ccc(cc1)C#N 34a_100000210344_100000210210 [0,2,0,0,0,0|2,0,0]=4 12275 B13R1.371 CCCCOc1ccc(cc1)C#N 7a_100000210344_100000210211 [0,2,0,0,0,0|2,0,0]=4 12276 B13R1.371 CCCCOc1ccc(cc1)CC 34a_100000211359_100000210210 [0,2,0,0,0,0|2,0,0]=4 12277 B13R1.371 CCCCOc1ccc(cc1)CC 7a_100000211359_100000210211 [0,2,0,0,0,0|2,0,0]=4 12278 B13R1.371 CCCCOc1ccc(cc1)CN 34a_100000185549_100000210210 [0,2,0,0,0,0|2,0,0]=4 12279 B13R1.371 CCCCOc1ccc(cc1)CO 34a_100000211755_100000210210 [0,2,0,0,0,0|2,0,0]=4 12280 B13R1.371 CCCCOc1ccc(cc1)NC 2230a_100011194258_200000210301 [0,2,0,0,0,0|2,0,0]=4 12281 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100000182112_100000210210 [0,2,0,0,0,0|2,0,0]=4 12282 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100011194258_200000210301 [0,2,0,0,0,0|2,0,0]=4 12283 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 2230a_100011194258_200025704644 [0,2,0,0,0,0|2,0,0]=4 12284 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 34a_100011194258_200025704644 [0,2,0,0,0,0|2,0,0]=4 12285 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100000210503_100000210210 [0,2,0,0,0,0|2,0,0]=4 12286 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100011215020_200000210301 [0,2,0,0,0,0|2,0,0]=4 12287 B13R1.371 CCCCOc1ccc(cc1)OC 7a_100011215020_200000210301 [0,2,0,0,0,0|2,0,0]=4 12288 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 34a_100011215020_200025704644 [0,2,0,0,0,0|2,0,0]=4 12289 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 7a_100011215020_200025704644 [0,2,0,0,0,0|2,0,0]=4 12290 B13R1.371 CCCCOc1ccc(cc1)SC 34a_100000211864_100000210210 [0,2,0,0,0,0|2,0,0]=4 12291 B13R1.371 CCCCOc1ccc(cc1)SC 62a_200000210301_100000230682 [0,2,0,0,0,0|2,0,0]=4 12292 B13R1.371 CCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000230682 [0,2,0,0,0,0|2,0,0]=4 12293 B13R1.371 CCCCSc1ccc(cc1)C#N 62a_100000210211_100000184291 [0,2,0,0,0,0|2,0,0]=4 12294 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000188517_100000210210 [0,2,0,0,0,0|2,0,0]=4 12295 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000210211_100000188517 [0,2,0,0,0,0|2,0,0]=4 12296 B13R1.371 CCCCSc1ccc(cc1)CC 62a_100000210211_100011215824 [0,2,0,0,0,0|2,0,0]=4 12297 B13R1.371 CCCCSc1ccc(cc1)CC 62a_100011215824_100000210210 [0,2,0,0,0,0|2,0,0]=4 12298 B13R1.371 CCCCSc1ccc(cc1)CF 62a_100000210211_100010268989 [0,2,0,0,0,0|2,0,0]=4 12299 B13R1.371 CCCCSc1ccc(cc1)CF 62a_100010268989_100000210210 [0,2,0,0,0,0|2,0,0]=4 12300 B13R1.371 CCCCSc1ccc(cc1)CN 62a_100000210211_100016989417 [0,2,0,0,0,0|2,0,0]=4 12301 B13R1.371 CCCCSc1ccc(cc1)CN 62a_100016989417_100000210210 [0,2,0,0,0,0|2,0,0]=4 12302 B13R1.371 CCCCSc1ccc(cc1)CO 62a_100000210211_100000690907 [0,2,0,0,0,0|2,0,0]=4 12303 B13R1.371 CCCCSc1ccc(cc1)CO 62a_100000690907_100000210210 [0,2,0,0,0,0|2,0,0]=4 12304 B13R1.371 CCCCSc1ccc(cc1)NC 62a_100000210211_100000743151 [0,2,0,0,0,0|2,0,0]=4 12305 B13R1.371 CCCCSc1ccc(cc1)NC 62a_100000743151_100000210210 [0,2,0,0,0,0|2,0,0]=4 12306 B13R1.371 CCCCSc1ccc(cc1)NN 62a_100000210211_100016988836 [0,2,0,0,0,0|2,0,0]=4 12307 B13R1.371 CCCCSc1ccc(cc1)NN 62a_100016988836_100000210210 [0,2,0,0,0,0|2,0,0]=4 12308 B13R1.371 CCCCSc1ccc(cc1)OC 62a_100000210211_100000171711 [0,2,0,0,0,0|2,0,0]=4 12309 B13R1.371 CCCCSc1ccc(cc1)SC 62a_100000210211_100011263217 [0,2,0,0,0,0|2,0,0]=4 12310 B13R1.371 CCCCSc1ccc(cc1)SC 62a_100011263217_100000210210 [0,2,0,0,0,0|2,0,0]=4 12311 B13R1.371 CCCNCc1ccc(cc1)C#N 207a_100020643023_100000211122 [0,2,0,0,0,0|2,0,0]=4 12312 B13R1.371 CCCNCc1ccc(cc1)C#N 270004a_100020643023_100000211122 [0,2,0,0,0,0|2,0,0]=4 12313 B13R1.371 CCCNCc1ccc(cc1)C#N 34a_100015207190_100000210303 [0,2,0,0,0,0|2,0,0]=4 12314 B13R1.371 CCCNCc1ccc(cc1)CC 207a_100020643023_100000211036 [0,2,0,0,0,0|2,0,0]=4 12315 B13R1.371 CCCNCc1ccc(cc1)CC 2230a_100000721222_100000210303 [0,2,0,0,0,0|2,0,0]=4 12316 B13R1.371 CCCNCc1ccc(cc1)CC 270004a_100020643023_100000211036 [0,2,0,0,0,0|2,0,0]=4 12317 B13R1.371 CCCNCc1ccc(cc1)CC 34a_100000721222_100000210303 [0,2,0,0,0,0|2,0,0]=4 12318 B13R1.371 CCCNCc1ccc(cc1)CO 207a_100020643023_100009832023 [0,2,0,0,0,0|2,0,0]=4 12319 B13R1.371 CCCNCc1ccc(cc1)CO 2230a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 12320 B13R1.371 CCCNCc1ccc(cc1)CO 270004a_100020643023_100009832023 [0,2,0,0,0,0|2,0,0]=4 12321 B13R1.371 CCCNCc1ccc(cc1)CO 34a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 12322 B13R1.371 CCCNCc1ccc(cc1)OC 207a_100020643023_100000169835 [0,2,0,0,0,0|2,0,0]=4 12323 B13R1.371 CCCNCc1ccc(cc1)OC 270004a_100020643023_100000169835 [0,2,0,0,0,0|2,0,0]=4 12324 B13R1.371 CCCNCc1ccc(cc1)OC 34a_100000185587_100000210303 [0,2,0,0,0,0|2,0,0]=4 12325 B13R1.371 CCCNCc1ccc(cc1)SC 207a_100020643023_100000211154 [0,2,0,0,0,0|2,0,0]=4 12326 B13R1.371 CCCNCc1ccc(cc1)SC 2230a_100000174980_100000210303 [0,2,0,0,0,0|2,0,0]=4 12327 B13R1.371 CCCNCc1ccc(cc1)SC 270004a_100020643023_100000211154 [0,2,0,0,0,0|2,0,0]=4 12328 B13R1.371 CCCNCc1ccc(cc1)SC 34a_100000174980_100000210303 [0,2,0,0,0,0|2,0,0]=4 12329 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000210258_100000184898 [0,2,0,0,0,0|2,0,0]=4 12330 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 12331 B13R1.371 CCCOCc1ccc(cc1)C#N 7a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 12332 B13R1.371 CCCOCc1ccc(cc1)C=O 34a_100000210258_100009816848 [0,2,0,0,0,0|2,0,0]=4 12333 B13R1.371 CCCOCc1ccc(cc1)CBr 34a_100012353999_100000210303 [0,2,0,0,0,0|2,0,0]=4 12334 B13R1.371 CCCOCc1ccc(cc1)CBr 7a_100012353999_100000210303 [0,2,0,0,0,0|2,0,0]=4 12335 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000210258_100000747183 [0,2,0,0,0,0|2,0,0]=4 12336 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000702245_100000210303 [0,2,0,0,0,0|2,0,0]=4 12337 B13R1.371 CCCOCc1ccc(cc1)CC 7a_100000702245_100000210303 [0,2,0,0,0,0|2,0,0]=4 12338 B13R1.371 CCCOCc1ccc(cc1)CCl 34a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 12339 B13R1.371 CCCOCc1ccc(cc1)CCl 7a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 12340 B13R1.371 CCCOCc1ccc(cc1)CN 34a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 12341 B13R1.371 CCCOCc1ccc(cc1)CO 34a_100000210258_100000067286 [0,2,0,0,0,0|2,0,0]=4 12342 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000173359_100000210303 [0,2,0,0,0,0|2,0,0]=4 12343 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000210258_100000742318 [0,2,0,0,0,0|2,0,0]=4 12344 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100000210258_100000181263 [0,2,0,0,0,0|2,0,0]=4 12345 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100011215404_100000210303 [0,2,0,0,0,0|2,0,0]=4 12346 B13R1.371 CCCOCc1ccc(cc1)SC 7a_100011215404_100000210303 [0,2,0,0,0,0|2,0,0]=4 12347 B13R1.371 CCCSCc1ccc(cc1)C#N 62a_100000210303_100000184898 [0,2,0,0,0,0|2,0,0]=4 12348 B13R1.371 CCCSCc1ccc(cc1)C=O 62a_100000210303_100009816848 [0,2,0,0,0,0|2,0,0]=4 12349 B13R1.371 CCCSCc1ccc(cc1)C=O 62a_100009816848_100000210303 [0,2,0,0,0,0|2,0,0]=4 12350 B13R1.371 CCCSCc1ccc(cc1)CC 62a_100000210303_100000747183 [0,2,0,0,0,0|2,0,0]=4 12351 B13R1.371 CCCSCc1ccc(cc1)CC 62a_100000757233_100000210303 [0,2,0,0,0,0|2,0,0]=4 12352 B13R1.371 CCCSCc1ccc(cc1)CO 62a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 12353 B13R1.371 CCCSCc1ccc(cc1)CO 62a_100000210303_100000067286 [0,2,0,0,0,0|2,0,0]=4 12354 B13R1.371 CCCSCc1ccc(cc1)OC 62a_100000210303_100000742318 [0,2,0,0,0,0|2,0,0]=4 12355 B13R1.371 CCCSCc1ccc(cc1)SC 62a_100000181263_100000210303 [0,2,0,0,0,0|2,0,0]=4 12356 B13R1.371 CCCSCc1ccc(cc1)SC 62a_100000210303_100000181263 [0,2,0,0,0,0|2,0,0]=4 12357 B13R1.371 CCNCCc1ccc(cc1)C#N 2230a_100015189369_100000210202 [0,2,0,0,0,0|2,0,0]=4 12358 B13R1.371 CCNCCc1ccc(cc1)C#N 2230a_100015525214_100012161189 [0,2,0,0,0,0|2,0,0]=4 12359 B13R1.371 CCNCCc1ccc(cc1)C#N 34a_100015189369_100000210202 [0,2,0,0,0,0|2,0,0]=4 12360 B13R1.371 CCNCCc1ccc(cc1)CC 2230a_100025712186_100000210202 [0,2,0,0,0,0|2,0,0]=4 12361 B13R1.371 CCNCCc1ccc(cc1)CC 34a_100025712186_100000210202 [0,2,0,0,0,0|2,0,0]=4 12362 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100000210796_100000210202 [0,2,0,0,0,0|2,0,0]=4 12363 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100015525214_100011713689 [0,2,0,0,0,0|2,0,0]=4 12364 B13R1.371 CCNCCc1ccc(cc1)OC 270004a_100015525214_100011242372 [0,2,0,0,0,0|2,0,0]=4 12365 B13R1.371 CCNCCc1ccc(cc1)OC 34a_100000210796_100000210202 [0,2,0,0,0,0|2,0,0]=4 12366 B13R1.371 CCOCCc1ccc(cc1)C#N 34a_100011219507_100000210202 [0,2,0,0,0,0|2,0,0]=4 12367 B13R1.371 CCOCCc1ccc(cc1)C#N 34a_100121572206_100012161189 [0,2,0,0,0,0|2,0,0]=4 12368 B13R1.371 CCOCCc1ccc(cc1)C#N 7a_100011219507_100000210202 [0,2,0,0,0,0|2,0,0]=4 12369 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100011219623_100000210202 [0,2,0,0,0,0|2,0,0]=4 12370 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100121572206_100000184700 [0,2,0,0,0,0|2,0,0]=4 12371 B13R1.371 CCOCCc1ccc(cc1)OC 7a_100011219623_100000210202 [0,2,0,0,0,0|2,0,0]=4 12372 B13R1.371 CCSCCc1ccc(cc1)C#N 62a_100000210202_100012161189 [0,2,0,0,0,0|2,0,0]=4 12373 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100000210202_100011713689 [0,2,0,0,0,0|2,0,0]=4 12374 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100011713689_100000210202 [0,2,0,0,0,0|2,0,0]=4 12375 B13R1.371 CCc1ccc(cc1)CCNCF 34a_100025712186_100015361967 [0,2,0,0,0,0|2,0,0]=4 12376 B13R1.371 CCc1ccc(cc1)CNCCF 2230a_100000721222_100011217306 [0,2,0,0,0,0|2,0,0]=4 12377 B13R1.371 CCc1ccc(cc1)CNCCF 34a_100000721222_100011217306 [0,2,0,0,0,0|2,0,0]=4 12378 B13R1.371 CCc1ccc(cc1)CNCCF 34a_100000724931_100000747183 [0,2,0,0,0,0|2,0,0]=4 12379 B13R1.371 CCc1ccc(cc1)CNCCO 207a_100000210304_100000211036 [0,2,0,0,0,0|2,0,0]=4 12380 B13R1.371 CCc1ccc(cc1)CNCCO 2230a_100000721222_100000211926 [0,2,0,0,0,0|2,0,0]=4 12381 B13R1.371 CCc1ccc(cc1)CNCCO 2230a_100016997473_100000747183 [0,2,0,0,0,0|2,0,0]=4 12382 B13R1.371 CCc1ccc(cc1)CNCCO 270004a_100000210304_100000211036 [0,2,0,0,0,0|2,0,0]=4 12383 B13R1.371 CCc1ccc(cc1)CNCCO 34a_100000721222_100000211926 [0,2,0,0,0,0|2,0,0]=4 12384 B13R1.371 CCc1ccc(cc1)CNCCO 34a_100016990907_100000747183 [0,2,0,0,0,0|2,0,0]=4 12385 B13R1.371 CCc1ccc(cc1)COCCBr 34a_100000211926_100000747183 [0,2,0,0,0,0|2,0,0]=4 12386 B13R1.371 CCc1ccc(cc1)COCCF 34a_100000702245_100011217306 [0,2,0,0,0,0|2,0,0]=4 12387 B13R1.371 CCc1ccc(cc1)COCCF 7a_100000702245_100011217306 [0,2,0,0,0,0|2,0,0]=4 12388 B13R1.371 CCc1ccc(cc1)COCCN 34a_100000210304_100000747183 [0,2,0,0,0,0|1,0,0]=3 12389 B13R1.371 CCc1ccc(cc1)COCCO 34a_100000702245_100000211926 [0,2,0,0,0,0|2,0,0]=4 12390 B13R1.371 CCc1ccc(cc1)COCCO 7a_100000702245_100000211926 [0,2,0,0,0,0|2,0,0]=4 12391 B13R1.371 CCc1ccc(cc1)CSCCF 62a_100000757233_100011217306 [0,2,0,0,0,0|2,0,0]=4 12392 B13R1.371 CCc1ccc(cc1)CSCCF 62a_100011217306_100000747183 [0,2,0,0,0,0|2,0,0]=4 12393 B13R1.371 CCc1ccc(cc1)CSCCO 62a_100000211926_100000747183 [0,2,0,0,0,0|2,0,0]=4 12394 B13R1.371 CCc1ccc(cc1)CSCCO 62a_100000757233_100000211926 [0,2,0,0,0,0|2,0,0]=4 12395 B13R1.371 CCc1ccc(cc1)NCCCF 2230a_100000211069_100011934791 [0,2,0,0,0,0|2,0,0]=4 12396 B13R1.371 CCc1ccc(cc1)NCCCF 34a_100000211069_100011934791 [0,2,0,0,0,0|2,0,0]=4 12397 B13R1.371 CCc1ccc(cc1)NCCCO 2230a_100000211069_100000230001 [0,2,0,0,0,0|2,0,0]=4 12398 B13R1.371 CCc1ccc(cc1)NCCCO 34a_100000211069_100000230001 [0,2,0,0,0,0|2,0,0]=4 12399 B13R1.371 CCc1ccc(cc1)OCCCF 34a_100000211359_100011934791 [0,2,0,0,0,0|2,0,0]=4 12400 B13R1.371 CCc1ccc(cc1)OCCCF 7a_100000211359_100011934791 [0,2,0,0,0,0|2,0,0]=4 12401 B13R1.371 CCc1ccc(cc1)OCCCO 34a_100000211359_100000230001 [0,2,0,0,0,0|2,0,0]=4 12402 B13R1.371 CCc1ccc(cc1)OCCCO 7a_100000211359_100011215043 [0,2,0,0,0,0|2,0,0]=4 12403 B13R1.371 CCc1ccc(cc1)SCCCF 62a_100011215824_100011934791 [0,2,0,0,0,0|2,0,0]=4 12404 B13R1.371 CCc1ccc(cc1)SCCCF 62a_100011934791_100011215824 [0,2,0,0,0,0|2,0,0]=4 12405 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215043_100011215824 [0,2,0,0,0,0|2,0,0]=4 12406 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215824_100011215043 [0,2,0,0,0,0|2,0,0]=4 12407 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_100015185942_200000210301 [0,2,0,0,0,0|2,0,0]=4 12408 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_106832991635_100011740616 [0,2,0,0,0,0|2,0,0]=4 12409 B13R1.371 CNCCCc1ccc(cc1)OC 270004a_106832991635_100011361577 [0,2,0,0,0,0|2,0,0]=4 12410 B13R1.371 CNCCCc1ccc(cc1)OC 34a_100015185942_200000210301 [0,2,0,0,0,0|2,0,0]=4 12411 B13R1.371 CNCCCc1ccc(cc1)OC 7a_106832991635_100011740616 [0,2,0,0,0,0|2,0,0]=4 12412 B13R1.371 CNc1ccc(cc1)OCCCF 34a_100000182112_100011934791 [0,2,0,0,0,0|2,0,0]=4 12413 B13R1.371 CNc1ccc(cc1)OCCCO 2230a_100000730458_200000210301 [0,2,0,0,0,0|2,0,0]=4 12414 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000182112_100000230001 [0,2,0,0,0,0|2,0,0]=4 12415 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000730458_200000210301 [0,2,0,0,0,0|2,0,0]=4 12416 B13R1.371 CNc1ccc(cc1)SCCCF 62a_100000743151_100011934791 [0,2,0,0,0,0|2,0,0]=4 12417 B13R1.371 CNc1ccc(cc1)SCCCF 62a_100011934791_100000743151 [0,2,0,0,0,0|2,0,0]=4 12418 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100000743151_100011215043 [0,2,0,0,0,0|2,0,0]=4 12419 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100011215043_100000743151 [0,2,0,0,0,0|2,0,0]=4 12420 B13R1.371 COCCCc1ccc(cc1)C#N 34a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 12421 B13R1.371 COCCCc1ccc(cc1)C#N 7a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 12422 B13R1.371 COCCCc1ccc(cc1)OC 34a_100011215180_200000210301 [0,2,0,0,0,0|2,0,0]=4 12423 B13R1.371 COCCCc1ccc(cc1)OC 7a_100011215180_200000210301 [0,2,0,0,0,0|2,0,0]=4 12424 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 2230a_100015185942_200025704644 [0,2,0,0,0,0|2,0,0]=4 12425 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 34a_100015185942_200025704644 [0,2,0,0,0,0|2,0,0]=4 12426 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 34a_100011215180_200025704644 [0,2,0,0,0,0|2,0,0]=4 12427 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 7a_100011215180_200025704644 [0,2,0,0,0,0|2,0,0]=4 12428 B13R1.371 COc1ccc(cc1)CCCSC 62a_100011740616_200000210301 [0,2,0,0,0,0|2,0,0]=4 12429 B13R1.371 COc1ccc(cc1)CCCSC 62a_200000210301_100011740616 [0,2,0,0,0,0|2,0,0]=4 12430 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_100011740616_200025704644 [0,2,0,0,0,0|2,0,0]=4 12431 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_200025704644_100011740616 [0,2,0,0,0,0|2,0,0]=4 12432 B13R1.371 COc1ccc(cc1)CCNCF 34a_100000210796_100015361967 [0,2,0,0,0,0|2,0,0]=4 12433 B13R1.371 COc1ccc(cc1)CCOCF 34a_100011219623_100015361967 [0,2,0,0,0,0|2,0,0]=4 12434 B13R1.371 COc1ccc(cc1)CCOCF 7a_100011219623_100015361967 [0,2,0,0,0,0|2,0,0]=4 12435 B13R1.371 COc1ccc(cc1)CCSCF 62a_100011713689_100015361967 [0,2,0,0,0,0|2,0,0]=4 12436 B13R1.371 COc1ccc(cc1)CCSCF 62a_100015361967_100011713689 [0,2,0,0,0,0|2,0,0]=4 12437 B13R1.371 COc1ccc(cc1)CNCCF 34a_100000185587_100011217306 [0,2,0,0,0,0|2,0,0]=4 12438 B13R1.371 COc1ccc(cc1)CNCCF 34a_100000724931_100000742318 [0,2,0,0,0,0|2,0,0]=4 12439 B13R1.371 COc1ccc(cc1)CNCCO 207a_100000210304_100000169835 [0,2,0,0,0,0|2,0,0]=4 12440 B13R1.371 COc1ccc(cc1)CNCCO 2230a_100016997473_100000742318 [0,2,0,0,0,0|2,0,0]=4 12441 B13R1.371 COc1ccc(cc1)CNCCO 270004a_100000210304_100000169835 [0,2,0,0,0,0|2,0,0]=4 12442 B13R1.371 COc1ccc(cc1)CNCCO 34a_100000185587_100000211926 [0,2,0,0,0,0|2,0,0]=4 12443 B13R1.371 COc1ccc(cc1)CNCCO 34a_100016990907_100000742318 [0,2,0,0,0,0|2,0,0]=4 12444 B13R1.371 COc1ccc(cc1)COCCBr 34a_100000211926_100000742318 [0,2,0,0,0,0|2,0,0]=4 12445 B13R1.371 COc1ccc(cc1)COCCF 34a_100000173359_100011217306 [0,2,0,0,0,0|2,0,0]=4 12446 B13R1.371 COc1ccc(cc1)COCCN 34a_100000210304_100000742318 [0,2,0,0,0,0|1,0,0]=3 12447 B13R1.371 COc1ccc(cc1)COCCO 34a_100000173359_100000211926 [0,2,0,0,0,0|2,0,0]=4 12448 B13R1.371 COc1ccc(cc1)CSCCF 62a_100011217306_100000742318 [0,2,0,0,0,0|2,0,0]=4 12449 B13R1.371 COc1ccc(cc1)CSCCO 62a_100000211926_100000742318 [0,2,0,0,0,0|2,0,0]=4 12450 B13R1.371 COc1ccc(cc1)NCCCF 34a_100000184247_100011934791 [0,2,0,0,0,0|2,0,0]=4 12451 B13R1.371 COc1ccc(cc1)NCCCO 34a_100000184247_100000230001 [0,2,0,0,0,0|2,0,0]=4 12452 B13R1.371 COc1ccc(cc1)OCCCF 34a_100000210503_100011934791 [0,2,0,0,0,0|2,0,0]=4 12453 B13R1.371 COc1ccc(cc1)OCCCO 34a_100000210503_100000230001 [0,2,0,0,0,0|2,0,0]=4 12454 B13R1.371 COc1ccc(cc1)SCCCF 62a_100011934791_100000171711 [0,2,0,0,0,0|2,0,0]=4 12455 B13R1.371 COc1ccc(cc1)SCCCO 62a_100011215043_100000171711 [0,2,0,0,0,0|2,0,0]=4 12456 B13R1.371 COc1ccc(cn1)COCCN 34a_100000210304_100020631284 [0,2,0,0,0,0|2,0,0]=4 12457 B13R1.371 COc1ccc(nc1)COCCN 34a_100000210304_200000757186 [0,2,0,0,0,0|2,0,0]=4 12458 B13R1.371 CSc1ccc(cc1)CNCCF 2230a_100000174980_100011217306 [0,2,0,0,0,0|2,0,0]=4 12459 B13R1.371 CSc1ccc(cc1)CNCCF 34a_100000174980_100011217306 [0,2,0,0,0,0|2,0,0]=4 12460 B13R1.371 CSc1ccc(cc1)CNCCF 34a_100000724931_100000181263 [0,2,0,0,0,0|2,0,0]=4 12461 B13R1.371 CSc1ccc(cc1)CNCCO 207a_100000210304_100000211154 [0,2,0,0,0,0|2,0,0]=4 12462 B13R1.371 CSc1ccc(cc1)CNCCO 2230a_100000174980_100000211926 [0,2,0,0,0,0|2,0,0]=4 12463 B13R1.371 CSc1ccc(cc1)CNCCO 2230a_100016997473_100000181263 [0,2,0,0,0,0|2,0,0]=4 12464 B13R1.371 CSc1ccc(cc1)CNCCO 270004a_100000210304_100000211154 [0,2,0,0,0,0|2,0,0]=4 12465 B13R1.371 CSc1ccc(cc1)CNCCO 34a_100000174980_100000211926 [0,2,0,0,0,0|2,0,0]=4 12466 B13R1.371 CSc1ccc(cc1)CNCCO 34a_100016990907_100000181263 [0,2,0,0,0,0|2,0,0]=4 12467 B13R1.371 CSc1ccc(cc1)CNCCO 62a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 12468 B13R1.371 CSc1ccc(cc1)CNCCO 62a_200000210301_100000186819 [0,2,0,0,0,0|2,0,0]=4 12469 B13R1.371 CSc1ccc(cc1)COCCBr 34a_100000211926_100000181263 [0,2,0,0,0,0|2,0,0]=4 12470 B13R1.371 CSc1ccc(cc1)COCCF 34a_100011215404_100011217306 [0,2,0,0,0,0|2,0,0]=4 12471 B13R1.371 CSc1ccc(cc1)COCCF 7a_100011215404_100011217306 [0,2,0,0,0,0|2,0,0]=4 12472 B13R1.371 CSc1ccc(cc1)COCCN 34a_100000210304_100000181263 [0,2,0,0,0,0|1,0,0]=3 12473 B13R1.371 CSc1ccc(cc1)COCCO 34a_100011215404_100000211926 [0,2,0,0,0,0|2,0,0]=4 12474 B13R1.371 CSc1ccc(cc1)COCCO 7a_100011215404_100000211926 [0,2,0,0,0,0|2,0,0]=4 12475 B13R1.371 CSc1ccc(cc1)CSCCF 62a_100000181263_100011217306 [0,2,0,0,0,0|2,0,0]=4 12476 B13R1.371 CSc1ccc(cc1)CSCCF 62a_100011217306_100000181263 [0,2,0,0,0,0|2,0,0]=4 12477 B13R1.371 CSc1ccc(cc1)CSCCO 62a_100000181263_100000211926 [0,2,0,0,0,0|2,0,0]=4 12478 B13R1.371 CSc1ccc(cc1)CSCCO 62a_100000211926_100000181263 [0,2,0,0,0,0|2,0,0]=4 12479 B13R1.371 CSc1ccc(cc1)NCCCF 34a_100000212337_100011934791 [0,2,0,0,0,0|2,0,0]=4 12480 B13R1.371 CSc1ccc(cc1)NCCCO 34a_100000212337_100000230001 [0,2,0,0,0,0|2,0,0]=4 12481 B13R1.371 CSc1ccc(cc1)OCCCF 34a_100000211864_100011934791 [0,2,0,0,0,0|2,0,0]=4 12482 B13R1.371 CSc1ccc(cc1)OCCCO 34a_100000211864_100000230001 [0,2,0,0,0,0|2,0,0]=4 12483 B13R1.371 CSc1ccc(cc1)OCCCO 62a_100000756186_200000210301 [0,2,0,0,0,0|2,0,0]=4 12484 B13R1.371 CSc1ccc(cc1)OCCCO 62a_200000210301_100000756186 [0,2,0,0,0,0|2,0,0]=4 12485 B13R1.371 CSc1ccc(cc1)SCCCF 62a_100011263217_100011934791 [0,2,0,0,0,0|2,0,0]=4 12486 B13R1.371 CSc1ccc(cc1)SCCCF 62a_100011934791_100011263217 [0,2,0,0,0,0|2,0,0]=4 12487 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011215043_100011263217 [0,2,0,0,0,0|2,0,0]=4 12488 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011263217_100011215043 [0,2,0,0,0,0|2,0,0]=4 12489 B13R1.371 FCCCSc1ccc(cc1)CF 62a_100010268989_100011934791 [0,2,0,0,0,0|2,0,0]=4 12490 B13R1.371 FCCCSc1ccc(cc1)CF 62a_100011934791_100010268989 [0,2,0,0,0,0|2,0,0]=4 12491 B13R1.371 FCCOCc1ccc(cc1)CBr 34a_100012353999_100011217306 [0,2,0,0,0,0|2,0,0]=4 12492 B13R1.371 FCCOCc1ccc(cc1)CBr 7a_100012353999_100011217306 [0,2,0,0,0,0|2,0,0]=4 12493 B13R1.371 FCCOCc1ccc(cc1)CCl 34a_100000067286_100011217306 [0,2,0,0,0,0|2,0,0]=4 12494 B13R1.371 FCCOCc1ccc(cc1)CCl 7a_100000067286_100011217306 [0,2,0,0,0,0|2,0,0]=4 12495 B13R1.371 N#Cc1ccc(cc1)CCNCF 34a_100015189369_100015361967 [0,2,0,0,0,0|2,0,0]=4 12496 B13R1.371 N#Cc1ccc(cc1)CCOCF 34a_100011219507_100015361967 [0,2,0,0,0,0|2,0,0]=4 12497 B13R1.371 N#Cc1ccc(cc1)CCOCF 7a_100011219507_100015361967 [0,2,0,0,0,0|2,0,0]=4 12498 B13R1.371 N#Cc1ccc(cc1)CCSCF 62a_100015361967_100012161189 [0,2,0,0,0,0|2,0,0]=4 12499 B13R1.371 N#Cc1ccc(cc1)CNCCF 34a_100000724931_100000184898 [0,2,0,0,0,0|2,0,0]=4 12500 B13R1.371 N#Cc1ccc(cc1)CNCCF 34a_100015207190_100011217306 [0,2,0,0,0,0|2,0,0]=4 12501 B13R1.371 N#Cc1ccc(cc1)CNCCO 207a_100000210304_100000211122 [0,2,0,0,0,0|2,0,0]=4 12502 B13R1.371 N#Cc1ccc(cc1)CNCCO 2230a_100016997473_100000184898 [0,2,0,0,0,0|2,0,0]=4 12503 B13R1.371 N#Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211122 [0,2,0,0,0,0|2,0,0]=4 12504 B13R1.371 N#Cc1ccc(cc1)CNCCO 34a_100015207190_100000211926 [0,2,0,0,0,0|2,0,0]=4 12505 B13R1.371 N#Cc1ccc(cc1)CNCCO 34a_100016990907_100000184898 [0,2,0,0,0,0|2,0,0]=4 12506 B13R1.371 N#Cc1ccc(cc1)COCCBr 34a_100000211926_100000184898 [0,2,0,0,0,0|2,0,0]=4 12507 B13R1.371 N#Cc1ccc(cc1)COCCF 34a_100000238739_100011217306 [0,2,0,0,0,0|2,0,0]=4 12508 B13R1.371 N#Cc1ccc(cc1)COCCF 7a_100000238739_100011217306 [0,2,0,0,0,0|2,0,0]=4 12509 B13R1.371 N#Cc1ccc(cc1)COCCN 34a_100000210304_100000184898 [0,2,0,0,0,0|1,0,0]=3 12510 B13R1.371 N#Cc1ccc(cc1)COCCO 34a_100000238739_100000211926 [0,2,0,0,0,0|2,0,0]=4 12511 B13R1.371 N#Cc1ccc(cc1)COCCO 7a_100000238739_100000211926 [0,2,0,0,0,0|2,0,0]=4 12512 B13R1.371 N#Cc1ccc(cc1)CSCCF 62a_100011217306_100000184898 [0,2,0,0,0,0|2,0,0]=4 12513 B13R1.371 N#Cc1ccc(cc1)CSCCO 62a_100000211926_100000184898 [0,2,0,0,0,0|2,0,0]=4 12514 B13R1.371 N#Cc1ccc(cc1)NCCCF 34a_100000185469_100011934791 [0,2,0,0,0,0|2,0,0]=4 12515 B13R1.371 N#Cc1ccc(cc1)NCCCO 34a_100000185469_100000230001 [0,2,0,0,0,0|2,0,0]=4 12516 B13R1.371 N#Cc1ccc(cc1)OCCCF 34a_100000210344_100011934791 [0,2,0,0,0,0|2,0,0]=4 12517 B13R1.371 N#Cc1ccc(cc1)OCCCF 7a_100000210344_100011934791 [0,2,0,0,0,0|2,0,0]=4 12518 B13R1.371 N#Cc1ccc(cc1)OCCCO 34a_100000210344_100000230001 [0,2,0,0,0,0|2,0,0]=4 12519 B13R1.371 N#Cc1ccc(cc1)OCCCO 7a_100000210344_100011215043 [0,2,0,0,0,0|2,0,0]=4 12520 B13R1.371 N#Cc1ccc(cc1)SCCCF 62a_100011934791_100000184291 [0,2,0,0,0,0|2,0,0]=4 12521 B13R1.371 N#Cc1ccc(cc1)SCCCO 62a_100011215043_100000184291 [0,2,0,0,0,0|2,0,0]=4 12522 B13R1.371 N#Cc1ccc(cn1)COCCN 34a_100000210304_100009816919 [0,2,0,0,0,0|2,0,0]=4 12523 B13R1.371 N#Cc1ccc(nc1)COCCN 34a_100000210304_100000693164 [0,2,0,0,0,0|2,0,0]=4 12524 B13R1.371 NCCOCc1ccc(cc1)C=O 34a_100000210304_100009816848 [0,2,0,0,0,0|1,0,0]=3 12525 B13R1.371 NCCOCc1ccc(cc1)CO 34a_100000210304_100000067286 [0,2,0,0,0,0|1,0,0]=3 12526 B13R1.371 NCc1ccc(cc1)COCCF 34a_100015189231_100011217306 [0,2,0,0,0,0|2,0,0]=4 12527 B13R1.371 NCc1ccc(cc1)COCCO 34a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 12528 B13R1.371 NCc1ccc(cc1)OCCCF 34a_100000185549_100011934791 [0,2,0,0,0,0|2,0,0]=4 12529 B13R1.371 NCc1ccc(cc1)OCCCO 34a_100000185549_100000230001 [0,2,0,0,0,0|2,0,0]=4 12530 B13R1.371 NCc1ccc(cc1)SCCCF 62a_100011934791_100016989417 [0,2,0,0,0,0|2,0,0]=4 12531 B13R1.371 NCc1ccc(cc1)SCCCF 62a_100016989417_100011934791 [0,2,0,0,0,0|2,0,0]=4 12532 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100011215043_100016989417 [0,2,0,0,0,0|2,0,0]=4 12533 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100016989417_100011215043 [0,2,0,0,0,0|2,0,0]=4 12534 B13R1.371 NNc1ccc(cc1)SCCCF 62a_100011934791_100016988836 [0,2,0,0,0,0|2,0,0]=4 12535 B13R1.371 NNc1ccc(cc1)SCCCF 62a_100016988836_100011934791 [0,2,0,0,0,0|2,0,0]=4 12536 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100011215043_100016988836 [0,2,0,0,0,0|2,0,0]=4 12537 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100016988836_100011215043 [0,2,0,0,0,0|2,0,0]=4 12538 B13R1.371 O=Cc1ccc(cc1)CNCCF 34a_100000724931_100009816848 [0,2,0,0,0,0|2,0,0]=4 12539 B13R1.371 O=Cc1ccc(cc1)CNCCO 2230a_100016997473_100009816848 [0,2,0,0,0,0|2,0,0]=4 12540 B13R1.371 O=Cc1ccc(cc1)CNCCO 34a_100016990907_100009816848 [0,2,0,0,0,0|2,0,0]=4 12541 B13R1.371 O=Cc1ccc(cc1)COCCBr 34a_100000211926_100009816848 [0,2,0,0,0,0|2,0,0]=4 12542 B13R1.371 O=Cc1ccc(cc1)CSCCF 62a_100009816848_100011217306 [0,2,0,0,0,0|2,0,0]=4 12543 B13R1.371 O=Cc1ccc(cc1)CSCCF 62a_100011217306_100009816848 [0,2,0,0,0,0|2,0,0]=4 12544 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100000211926_100009816848 [0,2,0,0,0,0|2,0,0]=4 12545 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100009816848_100000211926 [0,2,0,0,0,0|2,0,0]=4 12546 B13R1.371 O=Cc1ccc(cc1)SCCCF 62a_100000188517_100011934791 [0,2,0,0,0,0|2,0,0]=4 12547 B13R1.371 O=Cc1ccc(cc1)SCCCF 62a_100011934791_100000188517 [0,2,0,0,0,0|2,0,0]=4 12548 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100000188517_100011215043 [0,2,0,0,0,0|2,0,0]=4 12549 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100011215043_100000188517 [0,2,0,0,0,0|2,0,0]=4 12550 B13R1.371 OCCCNc1ccc(cc1)CO 2230a_100011215238_100000230001 [0,2,0,0,0,0|2,0,0]=4 12551 B13R1.371 OCCCNc1ccc(cc1)CO 34a_100011215238_100000230001 [0,2,0,0,0,0|2,0,0]=4 12552 B13R1.371 OCCCOc1ccc(cc1)CO 34a_100000211755_100000230001 [0,2,0,0,0,0|2,0,0]=4 12553 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100010268989_100011215043 [0,2,0,0,0,0|2,0,0]=4 12554 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100011215043_100010268989 [0,2,0,0,0,0|2,0,0]=4 12555 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100000690907_100011215043 [0,2,0,0,0,0|2,0,0]=4 12556 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100011215043_100000690907 [0,2,0,0,0,0|2,0,0]=4 12557 B13R1.371 OCCNCc1ccc(cc1)CO 207a_100000210304_100009832023 [0,2,0,0,0,0|2,0,0]=4 12558 B13R1.371 OCCNCc1ccc(cc1)CO 2230a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 12559 B13R1.371 OCCNCc1ccc(cc1)CO 2230a_100016997473_100000067286 [0,2,0,0,0,0|2,0,0]=4 12560 B13R1.371 OCCNCc1ccc(cc1)CO 270004a_100000210304_100009832023 [0,2,0,0,0,0|2,0,0]=4 12561 B13R1.371 OCCNCc1ccc(cc1)CO 34a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 12562 B13R1.371 OCCNCc1ccc(cc1)CO 34a_100016990907_100000067286 [0,2,0,0,0,0|2,0,0]=4 12563 B13R1.371 OCCOCc1ccc(cc1)CBr 34a_100012353999_100000211926 [0,2,0,0,0,0|2,0,0]=4 12564 B13R1.371 OCCOCc1ccc(cc1)CBr 7a_100012353999_100000211926 [0,2,0,0,0,0|2,0,0]=4 12565 B13R1.371 OCCOCc1ccc(cc1)CCl 34a_100000067286_100000211926 [0,2,0,0,0,0|2,0,0]=4 12566 B13R1.371 OCCOCc1ccc(cc1)CCl 7a_100000067286_100000211926 [0,2,0,0,0,0|2,0,0]=4 12567 B13R1.371 OCCSCc1ccc(cc1)CO 62a_100000067286_100000211926 [0,2,0,0,0,0|2,0,0]=4 12568 B13R1.371 OCCSCc1ccc(cc1)CO 62a_100000211926_100000067286 [0,2,0,0,0,0|2,0,0]=4 12569 B13R1.371 OCc1ccc(cc1)CNCCF 2230a_100015189231_100011217306 [0,2,0,0,0,0|2,0,0]=4 12570 B13R1.371 OCc1ccc(cc1)CNCCF 34a_100000724931_100000067286 [0,2,0,0,0,0|2,0,0]=4 12571 B13R1.371 OCc1ccc(cc1)CNCCF 34a_100015189231_100011217306 [0,2,0,0,0,0|2,0,0]=4 12572 B13R1.371 OCc1ccc(cc1)COCCBr 34a_100000211926_100000067286 [0,2,0,0,0,0|2,0,0]=4 12573 B13R1.371 OCc1ccc(cc1)CSCCF 62a_100000067286_100011217306 [0,2,0,0,0,0|2,0,0]=4 12574 B13R1.371 OCc1ccc(cc1)CSCCF 62a_100011217306_100000067286 [0,2,0,0,0,0|2,0,0]=4 12575 B13R1.371 OCc1ccc(cc1)NCCCF 2230a_100011215238_100011934791 [0,2,0,0,0,0|2,0,0]=4 12576 B13R1.371 OCc1ccc(cc1)NCCCF 34a_100011215238_100011934791 [0,2,0,0,0,0|2,0,0]=4 12577 B13R1.371 OCc1ccc(cc1)OCCCF 34a_100000211755_100011934791 [0,2,0,0,0,0|2,0,0]=4 12578 B13R1.371 OCc1ccc(cc1)SCCCF 62a_100000690907_100011934791 [0,2,0,0,0,0|2,0,0]=4 12579 B13R1.371 OCc1ccc(cc1)SCCCF 62a_100011934791_100000690907 [0,2,0,0,0,0|2,0,0]=4 12580 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 2230a_100000730458_200025704644 [0,2,0,0,0,0|2,0,0]=4 12581 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 34a_100000730458_200025704644 [0,2,0,0,0,0|2,0,0]=4 12582 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 34a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 12583 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 7a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 12584 B13R1.371 [13CH3]Sc1ccc(cc1)CNCCO 62a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 12585 B13R1.371 [13CH3]Sc1ccc(cc1)CNCCO 62a_200025704644_100000186819 [0,2,0,0,0,0|2,0,0]=4 12586 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_100000756186_200025704644 [0,2,0,0,0,0|2,0,0]=4 12587 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_200025704644_100000756186 [0,2,0,0,0,0|2,0,0]=4 12588 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,2,0,0,0,0|1,0,1]=4 12589 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,2,0,0,0,0|1,0,1]=4 12590 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,2,0,0,0,0|1,0,1]=4 12591 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,2,0,0,0,0|1,0,1]=4 12592 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,2,0,0,0,0|1,0,1]=4 12593 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,2,0,0,0,0|1,0,1]=4 12594 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,2,0,0,0,0|1,0,1]=4 12595 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,2,0,0,0,0|1,0,1]=4 12596 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,2,0,0,0,0|1,0,1]=4 12597 B13R1.513 CC(Br)COCc1ccc(cc1)Br 34a_100012180447_100000189115 [0,2,0,0,0,0|2,0,0]=4 12598 B13R1.513 CC(Br)COCc1ccc(cc1)Cl 34a_100012180447_100000694040 [0,2,0,0,0,0|2,0,0]=4 12599 B13R1.513 CC(Br)COCc1ccc(cc1)F 34a_100012180447_100000198546 [0,2,0,0,0,0|2,0,0]=4 12600 B13R1.513 CC(Br)COCc1ccc(cc1)I 34a_100012180447_100000189116 [0,2,0,0,0,0|2,0,0]=4 12601 B13R1.513 CC(C)CCNc1ccc(cc1)Br 2230a_100000210018_100000210312 [0,2,0,0,0,0|2,0,0]=4 12602 B13R1.513 CC(C)CCNc1ccc(cc1)Br 34a_100000210018_100000210312 [0,2,0,0,0,0|2,0,0]=4 12603 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000210312 [0,2,0,0,0,0|2,0,0]=4 12604 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000210312 [0,2,0,0,0,0|2,0,0]=4 12605 B13R1.513 CC(C)CCNc1ccc(cc1)F 34a_100000185862_100000210312 [0,2,0,0,0,0|2,0,0]=4 12606 B13R1.513 CC(C)CCNc1ccc(cc1)I 34a_100000185761_100000210312 [0,2,0,0,0,0|2,0,0]=4 12607 B13R1.513 CC(C)CCNc1ccc(cc1)O 34a_100000185829_100000210312 [0,2,0,0,0,0|2,0,0]=4 12608 B13R1.513 CC(C)CCOc1ccc(cc1)Br 34a_100000185759_100000210312 [0,2,0,0,0,0|2,0,0]=4 12609 B13R1.513 CC(C)CCOc1ccc(cc1)Br 7a_100000185759_100000210626 [0,2,0,0,0,0|2,0,0]=4 12610 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000210312 [0,2,0,0,0,0|2,0,0]=4 12611 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000210626 [0,2,0,0,0,0|2,0,0]=4 12612 B13R1.513 CC(C)CCOc1ccc(cc1)F 34a_100000210339_100000210312 [0,2,0,0,0,0|2,0,0]=4 12613 B13R1.513 CC(C)CCOc1ccc(cc1)I 34a_100000212066_100000210312 [0,2,0,0,0,0|2,0,0]=4 12614 B13R1.513 CC(C)CCOc1ccc(cc1)I 7a_100000212066_100000210626 [0,2,0,0,0,0|2,0,0]=4 12615 B13R1.513 CC(C)CCOc1ccc(cc1)N 34a_100000185829_100000210312 [0,2,0,0,0,0|2,0,0]=4 12616 B13R1.513 CC(C)CCSc1ccc(cc1)Br 62a_100000210312_100000752885 [0,2,0,0,0,0|2,0,0]=4 12617 B13R1.513 CC(C)CCSc1ccc(cc1)Br 62a_100000752885_100000210312 [0,2,0,0,0,0|2,0,0]=4 12618 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000210312_100000755918 [0,2,0,0,0,0|2,0,0]=4 12619 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000210312 [0,2,0,0,0,0|2,0,0]=4 12620 B13R1.513 CC(C)CCSc1ccc(cc1)F 62a_100000210312_100000211213 [0,2,0,0,0,0|2,0,0]=4 12621 B13R1.513 CC(C)CCSc1ccc(cc1)F 62a_100000211213_100000210312 [0,2,0,0,0,0|2,0,0]=4 12622 B13R1.513 CC(C)CCSc1ccc(cc1)N 62a_100000185761_100000210312 [0,2,0,0,0,0|2,0,0]=4 12623 B13R1.513 CC(C)CCSc1ccc(cc1)N 62a_100000210312_100000185761 [0,2,0,0,0,0|2,0,0]=4 12624 B13R1.513 CC(C)CCSc1ccc(cc1)O 271570a_203496583355_200009813137 [0,2,0,0,0,0|2,0,0]=4 12625 B13R1.513 CC(C)CCSc1ccc(cc1)O 62a_100000210312_100000185759 [0,2,0,0,0,0|2,0,0]=4 12626 B13R1.513 CC(C)CNCc1ccc(cc1)Br 207a_100000210953_100000186029 [0,2,0,0,0,0|2,0,0]=4 12627 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000210760 [0,2,0,0,0,0|2,0,0]=4 12628 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000210953_100011217064 [0,2,0,0,0,0|2,0,0]=4 12629 B13R1.513 CC(C)CNCc1ccc(cc1)Br 26a_100000210953_100000185759 [0,2,0,0,0,0|2,0,0]=4 12630 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000174875_100000210432 [0,2,0,0,0,0|2,0,0]=4 12631 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000210953_100000186029 [0,2,0,0,0,0|2,0,0]=4 12632 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000174875_100000210624 [0,2,0,0,0,0|2,0,0]=4 12633 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000210953_100000189115 [0,2,0,0,0,0|2,0,0]=4 12634 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 207a_100000210953_100000189385 [0,2,0,0,0,0|2,0,0]=4 12635 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000210760 [0,2,0,0,0,0|2,0,0]=4 12636 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000210953_100000694040 [0,2,0,0,0,0|2,0,0]=4 12637 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000210432 [0,2,0,0,0,0|2,0,0]=4 12638 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000210953_100000189385 [0,2,0,0,0,0|2,0,0]=4 12639 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000210624 [0,2,0,0,0,0|2,0,0]=4 12640 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000210953_100000694040 [0,2,0,0,0,0|2,0,0]=4 12641 B13R1.513 CC(C)CNCc1ccc(cc1)F 207a_100000210953_100000210084 [0,2,0,0,0,0|2,0,0]=4 12642 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000174882_100000210760 [0,2,0,0,0,0|2,0,0]=4 12643 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000210953_100000198546 [0,2,0,0,0,0|2,0,0]=4 12644 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000174882_100000210432 [0,2,0,0,0,0|2,0,0]=4 12645 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000210953_100000210084 [0,2,0,0,0,0|2,0,0]=4 12646 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000174882_100000210624 [0,2,0,0,0,0|2,0,0]=4 12647 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000210953_100000198546 [0,2,0,0,0,0|2,0,0]=4 12648 B13R1.513 CC(C)CNCc1ccc(cc1)I 207a_100000210953_100000188517 [0,2,0,0,0,0|2,0,0]=4 12649 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100000210953_100000189116 [0,2,0,0,0,0|2,0,0]=4 12650 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100016989417_100000210760 [0,2,0,0,0,0|2,0,0]=4 12651 B13R1.513 CC(C)CNCc1ccc(cc1)I 270004a_100016989417_100000210432 [0,2,0,0,0,0|2,0,0]=4 12652 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100000210953_100000189116 [0,2,0,0,0,0|2,0,0]=4 12653 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100016989417_100000210624 [0,2,0,0,0,0|2,0,0]=4 12654 B13R1.513 CC(C)CNCc1ccc(cc1)O 271570a_203496583355_100015183326 [0,2,0,0,0,0|2,0,0]=4 12655 B13R1.513 CC(C)CNCc1ccc(cc1)O 34a_100000185549_100000210624 [0,2,0,0,0,0|2,0,0]=4 12656 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000210257_100000189115 [0,2,0,0,0,0|2,0,0]=4 12657 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000695286_100000210624 [0,2,0,0,0,0|2,0,0]=4 12658 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000210257_100000694040 [0,2,0,0,0,0|2,0,0]=4 12659 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000210624 [0,2,0,0,0,0|2,0,0]=4 12660 B13R1.513 CC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000210760 [0,2,0,0,0,0|2,0,0]=4 12661 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210257_100000198546 [0,2,0,0,0,0|2,0,0]=4 12662 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210977_100000210624 [0,2,0,0,0,0|2,0,0]=4 12663 B13R1.513 CC(C)COCc1ccc(cc1)F 7a_100000210977_100000210760 [0,2,0,0,0,0|2,0,0]=4 12664 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000210257_100000189116 [0,2,0,0,0,0|2,0,0]=4 12665 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000690907_100000210624 [0,2,0,0,0,0|2,0,0]=4 12666 B13R1.513 CC(C)COCc1ccc(cc1)I 7a_100000690907_100000210760 [0,2,0,0,0,0|2,0,0]=4 12667 B13R1.513 CC(C)COCc1ccc(cc1)N 34a_100011215238_100000210624 [0,2,0,0,0,0|2,0,0]=4 12668 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000189115_100000210760 [0,2,0,0,0,0|2,0,0]=4 12669 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000210624_100000189115 [0,2,0,0,0,0|2,0,0]=4 12670 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000210760 [0,2,0,0,0,0|2,0,0]=4 12671 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000210624_100000187161 [0,2,0,0,0,0|2,0,0]=4 12672 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000198546_100000210760 [0,2,0,0,0,0|2,0,0]=4 12673 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000210624_100000187164 [0,2,0,0,0,0|2,0,0]=4 12674 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000189116_100000210760 [0,2,0,0,0,0|2,0,0]=4 12675 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000210624_100000189116 [0,2,0,0,0,0|2,0,0]=4 12676 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000210206 [0,2,0,0,0,0|2,0,0]=4 12677 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100138425928_100011740612 [0,2,0,0,0,0|2,0,0]=4 12678 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000210206 [0,2,0,0,0,0|2,0,0]=4 12679 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100138425928_100011740612 [0,2,0,0,0,0|2,0,0]=4 12680 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000210206 [0,2,0,0,0,0|2,0,0]=4 12681 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100138425928_100011713675 [0,2,0,0,0,0|2,0,0]=4 12682 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000210206 [0,2,0,0,0,0|2,0,0]=4 12683 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100138425928_100011713675 [0,2,0,0,0,0|2,0,0]=4 12684 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000210206 [0,2,0,0,0,0|2,0,0]=4 12685 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100138425928_100011217392 [0,2,0,0,0,0|2,0,0]=4 12686 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100000199005_100000210206 [0,2,0,0,0,0|2,0,0]=4 12687 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100138425928_100011217392 [0,2,0,0,0,0|2,0,0]=4 12688 B13R1.513 CC(C)NCCc1ccc(cc1)O 2230a_100138425928_100009816426 [0,2,0,0,0,0|2,0,0]=4 12689 B13R1.513 CC(C)NCCc1ccc(cc1)O 34a_100000743037_100000210206 [0,2,0,0,0,0|2,0,0]=4 12690 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000212225_100011740612 [0,2,0,0,0,0|2,0,0]=4 12691 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000210206 [0,2,0,0,0,0|2,0,0]=4 12692 B13R1.513 CC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000210206 [0,2,0,0,0,0|2,0,0]=4 12693 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100000212225_100011713675 [0,2,0,0,0,0|2,0,0]=4 12694 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000210206 [0,2,0,0,0,0|2,0,0]=4 12695 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000210206 [0,2,0,0,0,0|2,0,0]=4 12696 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000212225_100011217392 [0,2,0,0,0,0|2,0,0]=4 12697 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000754732_100000210206 [0,2,0,0,0,0|2,0,0]=4 12698 B13R1.513 CC(C)OCCc1ccc(cc1)F 7a_100000754732_100000210206 [0,2,0,0,0,0|2,0,0]=4 12699 B13R1.513 CC(C)OCCc1ccc(cc1)I 34a_100012291149_100000210206 [0,2,0,0,0,0|2,0,0]=4 12700 B13R1.513 CC(C)OCCc1ccc(cc1)I 7a_100012291149_100000210206 [0,2,0,0,0,0|2,0,0]=4 12701 B13R1.513 CC(C)OCCc1ccc(cc1)N 34a_100011204434_100000210206 [0,2,0,0,0,0|2,0,0]=4 12702 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100000210206_100011740612 [0,2,0,0,0,0|2,0,0]=4 12703 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000210206 [0,2,0,0,0,0|2,0,0]=4 12704 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100000210206_100011713675 [0,2,0,0,0,0|2,0,0]=4 12705 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000210206 [0,2,0,0,0,0|2,0,0]=4 12706 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100000210206_100011217392 [0,2,0,0,0,0|2,0,0]=4 12707 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100011217392_100000210206 [0,2,0,0,0,0|2,0,0]=4 12708 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100000210206_100009816426 [0,2,0,0,0,0|2,0,0]=4 12709 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100009816426_100000210206 [0,2,0,0,0,0|2,0,0]=4 12710 B13R1.513 CC(F)COCc1ccc(cc1)Br 34a_100015925927_100000189115 [0,2,0,0,0,0|2,0,0]=4 12711 B13R1.513 CC(F)COCc1ccc(cc1)Cl 34a_100015925927_100000694040 [0,2,0,0,0,0|2,0,0]=4 12712 B13R1.513 CC(F)COCc1ccc(cc1)F 34a_100015925927_100000198546 [0,2,0,0,0,0|2,0,0]=4 12713 B13R1.513 CC(F)COCc1ccc(cc1)I 34a_100015925927_100000189116 [0,2,0,0,0,0|2,0,0]=4 12714 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [0,2,0,0,0,0|2,0,0]=4 12715 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [0,2,0,0,0,0|2,0,0]=4 12716 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [0,2,0,0,0,0|2,0,0]=4 12717 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [0,2,0,0,0,0|2,0,0]=4 12718 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [0,2,0,0,0,0|2,0,0]=4 12719 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [0,2,0,0,0,0|2,0,0]=4 12720 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,2,0,0,0,0|2,0,0]=4 12721 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,2,0,0,0,0|2,0,0]=4 12722 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,2,0,0,0,0|2,0,0]=4 12723 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,2,0,0,0,0|2,0,0]=4 12724 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,2,0,0,0,0|2,0,0]=4 12725 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,2,0,0,0,0|2,0,0]=4 12726 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,2,0,0,0,0|2,0,0]=4 12727 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,2,0,0,0,0|2,0,0]=4 12728 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,2,0,0,0,0|2,0,0]=4 12729 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [0,2,0,0,0,0|2,0,0]=4 12730 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [0,2,0,0,0,0|2,0,0]=4 12731 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [0,2,0,0,0,0|2,0,0]=4 12732 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [0,2,0,0,0,0|2,0,0]=4 12733 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [0,2,0,0,0,0|2,0,0]=4 12734 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [0,2,0,0,0,0|2,0,0]=4 12735 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [0,2,0,0,0,0|2,0,0]=4 12736 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [0,2,0,0,0,0|2,0,0]=4 12737 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,2,0,0,0,0|2,0,0]=4 12738 B13R1.513 CC(O)CNCc1ccc(cc1)Br 207a_100000210904_100000186029 [0,2,0,0,0,0|2,0,0]=4 12739 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218427 [0,2,0,0,0,0|2,0,0]=4 12740 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000210904_100011217064 [0,2,0,0,0,0|2,0,0]=4 12741 B13R1.513 CC(O)CNCc1ccc(cc1)Br 270004a_100000210904_100000186029 [0,2,0,0,0,0|2,0,0]=4 12742 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218427 [0,2,0,0,0,0|2,0,0]=4 12743 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,2,0,0,0,0|2,0,0]=4 12744 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 207a_100000210904_100000189385 [0,2,0,0,0,0|2,0,0]=4 12745 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218427 [0,2,0,0,0,0|2,0,0]=4 12746 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000210904_100000694040 [0,2,0,0,0,0|2,0,0]=4 12747 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 270004a_100000210904_100000189385 [0,2,0,0,0,0|2,0,0]=4 12748 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218427 [0,2,0,0,0,0|2,0,0]=4 12749 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,2,0,0,0,0|2,0,0]=4 12750 B13R1.513 CC(O)CNCc1ccc(cc1)F 207a_100000210904_100000210084 [0,2,0,0,0,0|2,0,0]=4 12751 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218427 [0,2,0,0,0,0|2,0,0]=4 12752 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000210904_100000198546 [0,2,0,0,0,0|2,0,0]=4 12753 B13R1.513 CC(O)CNCc1ccc(cc1)F 270004a_100000210904_100000210084 [0,2,0,0,0,0|2,0,0]=4 12754 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218427 [0,2,0,0,0,0|2,0,0]=4 12755 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000210904_100000198546 [0,2,0,0,0,0|2,0,0]=4 12756 B13R1.513 CC(O)CNCc1ccc(cc1)I 207a_100000210904_100000188517 [0,2,0,0,0,0|2,0,0]=4 12757 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100000210904_100000189116 [0,2,0,0,0,0|2,0,0]=4 12758 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218427 [0,2,0,0,0,0|2,0,0]=4 12759 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100000210904_100000189116 [0,2,0,0,0,0|2,0,0]=4 12760 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218427 [0,2,0,0,0,0|2,0,0]=4 12761 B13R1.513 CC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218427 [0,2,0,0,0,0|2,0,0]=4 12762 B13R1.513 CC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218427 [0,2,0,0,0,0|2,0,0]=4 12763 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [0,2,0,0,0,0|2,0,0]=4 12764 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [0,2,0,0,0,0|2,0,0]=4 12765 B13R1.513 CC(O)COCc1ccc(cc1)F 34a_100000210977_100011218427 [0,2,0,0,0,0|2,0,0]=4 12766 B13R1.513 CC(O)COCc1ccc(cc1)F 7a_100000210977_100011218427 [0,2,0,0,0,0|2,0,0]=4 12767 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [0,2,0,0,0,0|2,0,0]=4 12768 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [0,2,0,0,0,0|2,0,0]=4 12769 B13R1.513 CC(O)COCc1ccc(cc1)N 34a_100011215238_100011218427 [0,2,0,0,0,0|2,0,0]=4 12770 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218427 [0,2,0,0,0,0|2,0,0]=4 12771 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100011218427_100000189115 [0,2,0,0,0,0|2,0,0]=4 12772 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218427 [0,2,0,0,0,0|2,0,0]=4 12773 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100011218427_100000187161 [0,2,0,0,0,0|2,0,0]=4 12774 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218427 [0,2,0,0,0,0|2,0,0]=4 12775 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100011218427_100000187164 [0,2,0,0,0,0|2,0,0]=4 12776 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218427 [0,2,0,0,0,0|2,0,0]=4 12777 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100011218427_100000189116 [0,2,0,0,0,0|2,0,0]=4 12778 B13R1.513 CN(C)CCCc1ccc(cc1)Br 2230a_100102631434_100011713682 [0,2,0,0,0,0|2,0,0]=4 12779 B13R1.513 CN(C)CCCc1ccc(cc1)Br 269982a_100102631434_100011713682 [0,2,0,0,0,0|2,0,0]=4 12780 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 2230a_100102631434_100000759440 [0,2,0,0,0,0|2,0,0]=4 12781 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 269982a_100102631434_100000759440 [0,2,0,0,0,0|2,0,0]=4 12782 B13R1.513 CN(C)CCCc1ccc(cc1)F 2230a_100102631434_200011713563 [0,2,0,0,0,0|2,0,0]=4 12783 B13R1.513 CN(C)CCCc1ccc(cc1)F 269982a_100102631434_200011713563 [0,2,0,0,0,0|2,0,0]=4 12784 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Br 34a_100016084084_100000189115 [0,2,0,0,0,0|2,0,0]=4 12785 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Cl 34a_100016084084_100000694040 [0,2,0,0,0,0|2,0,0]=4 12786 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)F 34a_100016084084_100000198546 [0,2,0,0,0,0|2,0,0]=4 12787 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)I 34a_100016084084_100000189116 [0,2,0,0,0,0|2,0,0]=4 12788 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Br 34a_100000737577_100000189115 [0,2,0,0,0,0|1,0,0]=3 12789 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Cl 34a_100000737577_100000694040 [0,2,0,0,0,0|1,0,0]=3 12790 B13R1.513 C[C@@H](N)COCc1ccc(cc1)F 34a_100000737577_100000198546 [0,2,0,0,0,0|1,0,0]=3 12791 B13R1.513 C[C@@H](N)COCc1ccc(cc1)I 34a_100000737577_100000189116 [0,2,0,0,0,0|1,0,0]=3 12792 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Br 34a_100000737577_100000702658 [0,2,0,0,0,0|2,0,0]=4 12793 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Cl 34a_100000737577_100012066911 [0,2,0,0,0,0|2,0,0]=4 12794 B13R1.513 C[C@@H](N)COCc1ccc(cn1)F 34a_100000737577_100000703193 [0,2,0,0,0,0|2,0,0]=4 12795 B13R1.513 C[C@@H](N)COCc1ccc(nc1)Br 34a_100000737577_100009831999 [0,2,0,0,0,0|2,0,0]=4 12796 B13R1.513 C[C@@H](N)COCc1ccc(nc1)Cl 34a_100000737577_100000735431 [0,2,0,0,0,0|2,0,0]=4 12797 B13R1.513 C[C@@H](N)COCc1ccc(nc1)F 34a_100000737577_100000099788 [0,2,0,0,0,0|2,0,0]=4 12798 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009817552 [0,2,0,0,0,0|2,0,0]=4 12799 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009817552 [0,2,0,0,0,0|2,0,0]=4 12800 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009817552 [0,2,0,0,0,0|2,0,0]=4 12801 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009817552 [0,2,0,0,0,0|2,0,0]=4 12802 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009817552 [0,2,0,0,0,0|2,0,0]=4 12803 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009817552 [0,2,0,0,0,0|2,0,0]=4 12804 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009817552 [0,2,0,0,0,0|2,0,0]=4 12805 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009817552 [0,2,0,0,0,0|2,0,0]=4 12806 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009817552 [0,2,0,0,0,0|2,0,0]=4 12807 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009817552 [0,2,0,0,0,0|2,0,0]=4 12808 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [0,2,0,0,0,0|2,0,0]=4 12809 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [0,2,0,0,0,0|2,0,0]=4 12810 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 34a_100000210977_100009817552 [0,2,0,0,0,0|2,0,0]=4 12811 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 7a_100000210977_100009817552 [0,2,0,0,0,0|2,0,0]=4 12812 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [0,2,0,0,0,0|2,0,0]=4 12813 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [0,2,0,0,0,0|2,0,0]=4 12814 B13R1.513 C[C@@H](O)COCc1ccc(cc1)N 34a_100011215238_100009817552 [0,2,0,0,0,0|2,0,0]=4 12815 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009817552 [0,2,0,0,0,0|2,0,0]=4 12816 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100009817552_100000189115 [0,2,0,0,0,0|2,0,0]=4 12817 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009817552 [0,2,0,0,0,0|2,0,0]=4 12818 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100009817552_100000187161 [0,2,0,0,0,0|2,0,0]=4 12819 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009817552 [0,2,0,0,0,0|2,0,0]=4 12820 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100009817552_100000187164 [0,2,0,0,0,0|2,0,0]=4 12821 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009817552 [0,2,0,0,0,0|2,0,0]=4 12822 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100009817552_100000189116 [0,2,0,0,0,0|2,0,0]=4 12823 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,2,0,0,0,0|1,0,1]=4 12824 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100000705350_100000210206 [0,2,0,0,0,0|2,0,0]=4 12825 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100138425928_100011713686 [0,2,0,0,0,0|2,0,0]=4 12826 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100000705350_100000210206 [0,2,0,0,0,0|2,0,0]=4 12827 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100138425928_100011713686 [0,2,0,0,0,0|2,0,0]=4 12828 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000212225_100011713686 [0,2,0,0,0,0|2,0,0]=4 12829 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000756670_100000210206 [0,2,0,0,0,0|2,0,0]=4 12830 B13R1.513 Cc1ccc(cc1)CCOC(C)C 7a_100000756670_100000210206 [0,2,0,0,0,0|2,0,0]=4 12831 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100000210206_100011713686 [0,2,0,0,0,0|2,0,0]=4 12832 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100011713686_100000210206 [0,2,0,0,0,0|2,0,0]=4 12833 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000174908_100000747473 [0,2,0,0,0,0|1,0,1]=4 12834 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000210814 [0,2,0,0,0,0|1,0,1]=4 12835 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 34a_100000174908_100000187820 [0,2,0,0,0,0|1,0,1]=4 12836 B13R1.513 Cc1ccc(cc1)CNCC(C)C 207a_100000210953_100000211033 [0,2,0,0,0,0|2,0,0]=4 12837 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000174908_100000210760 [0,2,0,0,0,0|2,0,0]=4 12838 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000210953_100000210814 [0,2,0,0,0,0|2,0,0]=4 12839 B13R1.513 Cc1ccc(cc1)CNCC(C)C 26a_100000210953_200020625495 [0,2,0,0,0,0|2,0,0]=4 12840 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000174908_100000210432 [0,2,0,0,0,0|2,0,0]=4 12841 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000210953_100000211033 [0,2,0,0,0,0|2,0,0]=4 12842 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000174908_100000210624 [0,2,0,0,0,0|2,0,0]=4 12843 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000210953_100000210814 [0,2,0,0,0,0|2,0,0]=4 12844 B13R1.513 Cc1ccc(cc1)CNCC(C)O 207a_100000210904_100000211033 [0,2,0,0,0,0|2,0,0]=4 12845 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000174908_100011218427 [0,2,0,0,0,0|2,0,0]=4 12846 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 12847 B13R1.513 Cc1ccc(cc1)CNCC(C)O 270004a_100000210904_100000211033 [0,2,0,0,0,0|2,0,0]=4 12848 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000174908_100011218427 [0,2,0,0,0,0|2,0,0]=4 12849 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 12850 B13R1.513 Cc1ccc(cc1)CNCC(F)F 207a_100000765723_100000211033 [0,2,0,0,0,0|2,0,0]=4 12851 B13R1.513 Cc1ccc(cc1)CNCC(F)F 2230a_100000174908_100011934356 [0,2,0,0,0,0|2,0,0]=4 12852 B13R1.513 Cc1ccc(cc1)CNCC(F)F 270004a_100000765723_100000211033 [0,2,0,0,0,0|2,0,0]=4 12853 B13R1.513 Cc1ccc(cc1)CNCC(F)F 34a_100000174908_100011934356 [0,2,0,0,0,0|2,0,0]=4 12854 B13R1.513 Cc1ccc(cc1)CNCC(F)F 34a_100000765723_100000210814 [0,2,0,0,0,0|2,0,0]=4 12855 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 2230a_100000174908_100009817552 [0,2,0,0,0,0|2,0,0]=4 12856 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 34a_100000174908_100009817552 [0,2,0,0,0,0|2,0,0]=4 12857 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [0,2,0,0,0,0|1,0,1]=4 12858 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [0,2,0,0,0,0|1,0,1]=4 12859 B13R1.513 Cc1ccc(cc1)COCC(C)Br 34a_100012180447_100000210814 [0,2,0,0,0,0|2,0,0]=4 12860 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100000210257_100000210814 [0,2,0,0,0,0|2,0,0]=4 12861 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100011215236_100000210624 [0,2,0,0,0,0|2,0,0]=4 12862 B13R1.513 Cc1ccc(cc1)COCC(C)C 7a_100011215236_100000210760 [0,2,0,0,0,0|2,0,0]=4 12863 B13R1.513 Cc1ccc(cc1)COCC(C)F 34a_100015925927_100000210814 [0,2,0,0,0,0|2,0,0]=4 12864 B13R1.513 Cc1ccc(cc1)COCC(C)O 34a_100011215236_100011218427 [0,2,0,0,0,0|2,0,0]=4 12865 B13R1.513 Cc1ccc(cc1)COCC(C)O 7a_100011215236_100011218427 [0,2,0,0,0,0|2,0,0]=4 12866 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100000743014_100000210814 [0,2,0,0,0,0|2,0,0]=4 12867 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100011215236_100011934356 [0,2,0,0,0,0|2,0,0]=4 12868 B13R1.513 Cc1ccc(cc1)COCC(F)F 7a_100011215236_100011934356 [0,2,0,0,0,0|2,0,0]=4 12869 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)Cl 34a_100016084084_100000210814 [0,2,0,0,0,0|2,0,0]=4 12870 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)N 34a_100000737577_100000210814 [0,2,0,0,0,0|1,0,0]=3 12871 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 34a_100011215236_100009817552 [0,2,0,0,0,0|2,0,0]=4 12872 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 7a_100011215236_100009817552 [0,2,0,0,0,0|2,0,0]=4 12873 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [0,2,0,0,0,0|1,0,1]=4 12874 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [0,2,0,0,0,0|1,0,1]=4 12875 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210624_100000210814 [0,2,0,0,0,0|2,0,0]=4 12876 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210814_100000210760 [0,2,0,0,0,0|2,0,0]=4 12877 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100000210814_100011218427 [0,2,0,0,0,0|2,0,0]=4 12878 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100011218427_100000210814 [0,2,0,0,0,0|2,0,0]=4 12879 B13R1.513 Cc1ccc(cc1)CSCC(F)F 62a_100000210814_100011934356 [0,2,0,0,0,0|2,0,0]=4 12880 B13R1.513 Cc1ccc(cc1)CSCC(F)F 62a_100011934356_100000210814 [0,2,0,0,0,0|2,0,0]=4 12881 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100000210814_100009817552 [0,2,0,0,0,0|2,0,0]=4 12882 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100009817552_100000210814 [0,2,0,0,0,0|2,0,0]=4 12883 B13R1.513 Cc1ccc(cc1)NCCC(=O)N 34a_100000124888_100000731001 [0,2,0,0,0,0|1,0,1]=4 12884 B13R1.513 Cc1ccc(cc1)NCCC(C)C 34a_100000124888_100000210312 [0,2,0,0,0,0|2,0,0]=4 12885 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [0,2,0,0,0,0|2,0,0]=4 12886 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [0,2,0,0,0,0|1,0,1]=4 12887 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [0,2,0,0,0,0|1,0,1]=4 12888 B13R1.513 Cc1ccc(cc1)OCCC(C)C 34a_100000210336_100000210312 [0,2,0,0,0,0|2,0,0]=4 12889 B13R1.513 Cc1ccc(cc1)OCCC(C)C 7a_100000210336_100000210626 [0,2,0,0,0,0|2,0,0]=4 12890 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,2,0,0,0,0|2,0,0]=4 12891 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,2,0,0,0,0|2,0,0]=4 12892 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000186775_100000744528 [0,2,0,0,0,0|1,0,1]=4 12893 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000186775 [0,2,0,0,0,0|1,0,1]=4 12894 B13R1.513 Cc1ccc(cc1)SCCC(C)C 62a_100000186775_100000210312 [0,2,0,0,0,0|2,0,0]=4 12895 B13R1.513 Cc1ccc(cc1)SCCC(C)C 62a_100000210312_100000186775 [0,2,0,0,0,0|2,0,0]=4 12896 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [0,2,0,0,0,0|2,0,0]=4 12897 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [0,2,0,0,0,0|2,0,0]=4 12898 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)N 34a_100000737577_100016987292 [0,2,0,0,0,0|2,0,0]=4 12899 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)N 34a_100000737577_100000691093 [0,2,0,0,0,0|2,0,0]=4 12900 B13R1.513 FC(F)CNCc1ccc(cc1)Br 207a_100000765723_100000186029 [0,2,0,0,0,0|2,0,0]=4 12901 B13R1.513 FC(F)CNCc1ccc(cc1)Br 2230a_100000174875_100011934356 [0,2,0,0,0,0|2,0,0]=4 12902 B13R1.513 FC(F)CNCc1ccc(cc1)Br 270004a_100000765723_100000186029 [0,2,0,0,0,0|2,0,0]=4 12903 B13R1.513 FC(F)CNCc1ccc(cc1)Br 34a_100000174875_100011934356 [0,2,0,0,0,0|2,0,0]=4 12904 B13R1.513 FC(F)CNCc1ccc(cc1)Br 34a_100000765723_100000189115 [0,2,0,0,0,0|2,0,0]=4 12905 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 207a_100000765723_100000189385 [0,2,0,0,0,0|2,0,0]=4 12906 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 2230a_100000174871_100011934356 [0,2,0,0,0,0|2,0,0]=4 12907 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 270004a_100000765723_100000189385 [0,2,0,0,0,0|2,0,0]=4 12908 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 34a_100000174871_100011934356 [0,2,0,0,0,0|2,0,0]=4 12909 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 34a_100000765723_100000694040 [0,2,0,0,0,0|2,0,0]=4 12910 B13R1.513 FC(F)CNCc1ccc(cc1)I 207a_100000765723_100000188517 [0,2,0,0,0,0|2,0,0]=4 12911 B13R1.513 FC(F)CNCc1ccc(cc1)I 2230a_100016989417_100011934356 [0,2,0,0,0,0|2,0,0]=4 12912 B13R1.513 FC(F)CNCc1ccc(cc1)I 34a_100000765723_100000189116 [0,2,0,0,0,0|2,0,0]=4 12913 B13R1.513 FC(F)CNCc1ccc(cc1)I 34a_100016989417_100011934356 [0,2,0,0,0,0|2,0,0]=4 12914 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000695286_100011934356 [0,2,0,0,0,0|2,0,0]=4 12915 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000743014_100000189115 [0,2,0,0,0,0|2,0,0]=4 12916 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000211118_100011934356 [0,2,0,0,0,0|2,0,0]=4 12917 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000743014_100000694040 [0,2,0,0,0,0|2,0,0]=4 12918 B13R1.513 FC(F)COCc1ccc(cc1)Cl 7a_100000211118_100011934356 [0,2,0,0,0,0|2,0,0]=4 12919 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000690907_100011934356 [0,2,0,0,0,0|2,0,0]=4 12920 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000743014_100000189116 [0,2,0,0,0,0|2,0,0]=4 12921 B13R1.513 FC(F)COCc1ccc(cc1)I 7a_100000690907_100011934356 [0,2,0,0,0,0|2,0,0]=4 12922 B13R1.513 FC(F)CSCc1ccc(cc1)Br 62a_100000189115_100011934356 [0,2,0,0,0,0|2,0,0]=4 12923 B13R1.513 FC(F)CSCc1ccc(cc1)Br 62a_100011934356_100000189115 [0,2,0,0,0,0|2,0,0]=4 12924 B13R1.513 FC(F)CSCc1ccc(cc1)Cl 62a_100000187161_100011934356 [0,2,0,0,0,0|2,0,0]=4 12925 B13R1.513 FC(F)CSCc1ccc(cc1)Cl 62a_100011934356_100000187161 [0,2,0,0,0,0|2,0,0]=4 12926 B13R1.513 FC(F)CSCc1ccc(cc1)I 62a_100000189116_100011934356 [0,2,0,0,0,0|2,0,0]=4 12927 B13R1.513 FC(F)CSCc1ccc(cc1)I 62a_100011934356_100000189116 [0,2,0,0,0,0|2,0,0]=4 12928 B13R1.513 Fc1ccc(cc1)CNCC(F)F 207a_100000765723_100000210084 [0,2,0,0,0,0|2,0,0]=4 12929 B13R1.513 Fc1ccc(cc1)CNCC(F)F 2230a_100000174882_100011934356 [0,2,0,0,0,0|2,0,0]=4 12930 B13R1.513 Fc1ccc(cc1)CNCC(F)F 270004a_100000765723_100000210084 [0,2,0,0,0,0|2,0,0]=4 12931 B13R1.513 Fc1ccc(cc1)CNCC(F)F 34a_100000174882_100011934356 [0,2,0,0,0,0|2,0,0]=4 12932 B13R1.513 Fc1ccc(cc1)CNCC(F)F 34a_100000765723_100000198546 [0,2,0,0,0,0|2,0,0]=4 12933 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000210977_100011934356 [0,2,0,0,0,0|2,0,0]=4 12934 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000743014_100000198546 [0,2,0,0,0,0|2,0,0]=4 12935 B13R1.513 Fc1ccc(cc1)COCC(F)F 7a_100000210977_100011934356 [0,2,0,0,0,0|2,0,0]=4 12936 B13R1.513 Fc1ccc(cc1)CSCC(F)F 62a_100000198546_100011934356 [0,2,0,0,0,0|2,0,0]=4 12937 B13R1.513 Fc1ccc(cc1)CSCC(F)F 62a_100011934356_100000187164 [0,2,0,0,0,0|2,0,0]=4 12938 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [0,2,0,0,0,0|1,0,1]=4 12939 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [0,2,0,0,0,0|1,0,1]=4 12940 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [0,2,0,0,0,0|1,0,1]=4 12941 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [0,2,0,0,0,0|1,0,1]=4 12942 B13R1.513 NC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000731001 [0,2,0,0,0,0|1,0,1]=4 12943 B13R1.513 NC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000731001 [0,2,0,0,0,0|1,0,1]=4 12944 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [0,2,0,0,0,0|1,0,1]=4 12945 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,2,0,0,0,0|1,0,1]=4 12946 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,2,0,0,0,0|1,0,1]=4 12947 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [0,2,0,0,0,0|1,0,1]=4 12948 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [0,2,0,0,0,0|1,0,1]=4 12949 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [0,2,0,0,0,0|1,0,1]=4 12950 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [0,2,0,0,0,0|1,0,1]=4 12951 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [0,2,0,0,0,0|1,0,1]=4 12952 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [0,2,0,0,0,0|1,0,1]=4 12953 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [0,2,0,0,0,0|1,0,1]=4 12954 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [0,2,0,0,0,0|1,0,1]=4 12955 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [0,2,0,0,0,0|1,0,1]=4 12956 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [0,2,0,0,0,0|1,0,1]=4 12957 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000744528 [0,2,0,0,0,0|1,0,1]=4 12958 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000744528_100000211213 [0,2,0,0,0,0|1,0,1]=4 12959 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000744528 [0,2,0,0,0,0|1,0,1]=4 12960 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000744528_100000185761 [0,2,0,0,0,0|1,0,1]=4 12961 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [0,2,0,0,0,0|1,0,1]=4 12962 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [0,2,0,0,0,0|1,0,1]=4 12963 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [0,2,0,0,0,0|1,0,1]=4 12964 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [0,2,0,0,0,0|1,0,1]=4 12965 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747473 [0,2,0,0,0,0|1,0,1]=4 12966 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000711301_100000694040 [0,2,0,0,0,0|1,0,1]=4 12967 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000187820 [0,2,0,0,0,0|1,0,1]=4 12968 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747473 [0,2,0,0,0,0|1,0,1]=4 12969 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000711301_100000198546 [0,2,0,0,0,0|1,0,1]=4 12970 B13R1.513 NC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000187820 [0,2,0,0,0,0|1,0,1]=4 12971 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100000711301_100000189116 [0,2,0,0,0,0|1,0,1]=4 12972 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747473 [0,2,0,0,0,0|1,0,1]=4 12973 B13R1.513 NC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000187820 [0,2,0,0,0,0|1,0,1]=4 12974 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [0,2,0,0,0,0|1,0,1]=4 12975 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [0,2,0,0,0,0|1,0,1]=4 12976 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [0,2,0,0,0,0|1,0,1]=4 12977 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [0,2,0,0,0,0|1,0,1]=4 12978 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [0,2,0,0,0,0|1,0,1]=4 12979 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [0,2,0,0,0,0|1,0,1]=4 12980 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [0,2,0,0,0,0|1,0,1]=4 12981 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [0,2,0,0,0,0|1,0,1]=4 12982 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [0,2,0,0,0,0|1,0,1]=4 12983 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [0,2,0,0,0,0|1,0,1]=4 12984 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [0,2,0,0,0,0|1,0,1]=4 12985 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [0,2,0,0,0,0|1,0,1]=4 12986 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [0,2,0,0,0,0|1,0,1]=4 12987 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [0,2,0,0,0,0|1,0,1]=4 12988 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [0,2,0,0,0,0|1,0,1]=4 12989 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [0,2,0,0,0,0|1,0,1]=4 12990 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [0,2,0,0,0,0|1,0,1]=4 12991 B13R1.513 Nc1ccc(cc1)COCC(F)F 34a_100011215238_100011934356 [0,2,0,0,0,0|2,0,0]=4 12992 B13R1.513 Oc1ccc(cc1)CNCC(F)F 34a_100000185549_100011934356 [0,2,0,0,0,0|2,0,0]=4 12993 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,2,0,0,0,0|1,0,1]=4 12994 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,2,0,0,0,0|1,0,1]=4 12995 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,2,0,0,0,0|1,0,1]=4 12996 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,2,0,0,0,0|1,0,1]=4 12997 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,2,0,0,0,0|1,0,1]=4 12998 B13R1.669 BrCCOCc1ccc(c(c1)Br)Br 34a_100000211926_100012353900 [0,2,0,0,0,0|2,0,0]=4 12999 B13R1.669 BrCCOCc1ccc(c(c1)I)Br 34a_100000211926_100010146616 [0,2,0,0,0,0|2,0,0]=4 13000 B13R1.669 CCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210211 [0,2,0,0,0,0|2,0,0]=4 13001 B13R1.669 CCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000210210 [0,2,0,0,0,0|2,0,0]=4 13002 B13R1.669 CCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210211 [0,2,0,0,0,0|2,0,0]=4 13003 B13R1.669 CCCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210211 [0,2,0,0,0,0|2,0,0]=4 13004 B13R1.669 CCCCNc1ccc(c(c1)Br)C 34a_100000736455_100000210210 [0,2,0,0,0,0|2,0,0]=4 13005 B13R1.669 CCCCNc1ccc(c(c1)Br)C 7a_100000736455_100000210211 [0,2,0,0,0,0|2,0,0]=4 13006 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210211 [0,2,0,0,0,0|2,0,0]=4 13007 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210210 [0,2,0,0,0,0|2,0,0]=4 13008 B13R1.669 CCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210211 [0,2,0,0,0,0|2,0,0]=4 13009 B13R1.669 CCCCNc1ccc(c(c1)Br)F 34a_100000760356_100000210210 [0,2,0,0,0,0|2,0,0]=4 13010 B13R1.669 CCCCNc1ccc(c(c1)Br)F 7a_100000760356_100000210211 [0,2,0,0,0,0|2,0,0]=4 13011 B13R1.669 CCCCNc1ccc(c(c1)Br)I 34a_100000750458_100000210210 [0,2,0,0,0,0|2,0,0]=4 13012 B13R1.669 CCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 13013 B13R1.669 CCCCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210211 [0,2,0,0,0,0|2,0,0]=4 13014 B13R1.669 CCCCNc1ccc(c(c1)C)Br 34a_100000210723_100000210210 [0,2,0,0,0,0|2,0,0]=4 13015 B13R1.669 CCCCNc1ccc(c(c1)C)Br 7a_100000210723_100000210211 [0,2,0,0,0,0|2,0,0]=4 13016 B13R1.669 CCCCNc1ccc(c(c1)C)C 2230a_100000724040_100000210211 [0,2,0,0,0,0|2,0,0]=4 13017 B13R1.669 CCCCNc1ccc(c(c1)C)C 34a_100000724040_100000210210 [0,2,0,0,0,0|2,0,0]=4 13018 B13R1.669 CCCCNc1ccc(c(c1)C)C 7a_100000724040_100000210211 [0,2,0,0,0,0|2,0,0]=4 13019 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210211 [0,2,0,0,0,0|2,0,0]=4 13020 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210210 [0,2,0,0,0,0|2,0,0]=4 13021 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210211 [0,2,0,0,0,0|2,0,0]=4 13022 B13R1.669 CCCCNc1ccc(c(c1)C)F 2230a_100000750164_100000210211 [0,2,0,0,0,0|2,0,0]=4 13023 B13R1.669 CCCCNc1ccc(c(c1)C)F 34a_100000750164_100000210210 [0,2,0,0,0,0|2,0,0]=4 13024 B13R1.669 CCCCNc1ccc(c(c1)C)F 7a_100000750164_100000210211 [0,2,0,0,0,0|2,0,0]=4 13025 B13R1.669 CCCCNc1ccc(c(c1)C)I 34a_100000198070_100000210210 [0,2,0,0,0,0|2,0,0]=4 13026 B13R1.669 CCCCNc1ccc(c(c1)C)I 7a_100000198070_100000210211 [0,2,0,0,0,0|2,0,0]=4 13027 B13R1.669 CCCCNc1ccc(c(c1)C)O 34a_100011218179_100000210210 [0,2,0,0,0,0|2,0,0]=4 13028 B13R1.669 CCCCNc1ccc(c(c1)C)O 7a_100011218179_100000210211 [0,2,0,0,0,0|2,0,0]=4 13029 B13R1.669 CCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210211 [0,2,0,0,0,0|2,0,0]=4 13030 B13R1.669 CCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210210 [0,2,0,0,0,0|2,0,0]=4 13031 B13R1.669 CCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210211 [0,2,0,0,0,0|2,0,0]=4 13032 B13R1.669 CCCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210211 [0,2,0,0,0,0|2,0,0]=4 13033 B13R1.669 CCCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210210 [0,2,0,0,0,0|2,0,0]=4 13034 B13R1.669 CCCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210211 [0,2,0,0,0,0|2,0,0]=4 13035 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210211 [0,2,0,0,0,0|2,0,0]=4 13036 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210210 [0,2,0,0,0,0|2,0,0]=4 13037 B13R1.669 CCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210211 [0,2,0,0,0,0|2,0,0]=4 13038 B13R1.669 CCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000210210 [0,2,0,0,0,0|2,0,0]=4 13039 B13R1.669 CCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210211 [0,2,0,0,0,0|2,0,0]=4 13040 B13R1.669 CCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000210210 [0,2,0,0,0,0|2,0,0]=4 13041 B13R1.669 CCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210210 [0,2,0,0,0,0|2,0,0]=4 13042 B13R1.669 CCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210211 [0,2,0,0,0,0|2,0,0]=4 13043 B13R1.669 CCCCNc1ccc(c(c1)F)Br 34a_100000759894_100000210210 [0,2,0,0,0,0|2,0,0]=4 13044 B13R1.669 CCCCNc1ccc(c(c1)F)Br 7a_100000759894_100000210211 [0,2,0,0,0,0|2,0,0]=4 13045 B13R1.669 CCCCNc1ccc(c(c1)F)C 2230a_100000210958_100000210211 [0,2,0,0,0,0|2,0,0]=4 13046 B13R1.669 CCCCNc1ccc(c(c1)F)C 34a_100000210958_100000210210 [0,2,0,0,0,0|2,0,0]=4 13047 B13R1.669 CCCCNc1ccc(c(c1)F)C 7a_100000210958_100000210211 [0,2,0,0,0,0|2,0,0]=4 13048 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210211 [0,2,0,0,0,0|2,0,0]=4 13049 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210210 [0,2,0,0,0,0|2,0,0]=4 13050 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210211 [0,2,0,0,0,0|2,0,0]=4 13051 B13R1.669 CCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000210211 [0,2,0,0,0,0|2,0,0]=4 13052 B13R1.669 CCCCNc1ccc(c(c1)F)F 34a_100000210724_100000210210 [0,2,0,0,0,0|2,0,0]=4 13053 B13R1.669 CCCCNc1ccc(c(c1)F)F 7a_100000210724_100000210211 [0,2,0,0,0,0|2,0,0]=4 13054 B13R1.669 CCCCNc1ccc(c(c1)F)I 34a_100011356925_100000210210 [0,2,0,0,0,0|2,0,0]=4 13055 B13R1.669 CCCCNc1ccc(c(c1)F)I 7a_100011356925_100000210211 [0,2,0,0,0,0|2,0,0]=4 13056 B13R1.669 CCCCNc1ccc(c(c1)F)O 34a_100011220035_100000210210 [0,2,0,0,0,0|2,0,0]=4 13057 B13R1.669 CCCCNc1ccc(c(c1)F)O 7a_100011220035_100000210211 [0,2,0,0,0,0|2,0,0]=4 13058 B13R1.669 CCCCNc1ccc(c(c1)I)Br 34a_100000750459_100000210210 [0,2,0,0,0,0|2,0,0]=4 13059 B13R1.669 CCCCNc1ccc(c(c1)I)C 34a_100000184131_100000210210 [0,2,0,0,0,0|2,0,0]=4 13060 B13R1.669 CCCCNc1ccc(c(c1)I)C 7a_100000184131_100000210211 [0,2,0,0,0,0|2,0,0]=4 13061 B13R1.669 CCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210210 [0,2,0,0,0,0|2,0,0]=4 13062 B13R1.669 CCCCNc1ccc(c(c1)I)F 34a_114828291077_100000210210 [0,2,0,0,0,0|2,0,0]=4 13063 B13R1.669 CCCCNc1ccc(c(c1)I)F 7a_114828291077_100000210211 [0,2,0,0,0,0|2,0,0]=4 13064 B13R1.669 CCCCNc1ccc(c(c1)O)C 34a_100000759471_100000210210 [0,2,0,0,0,0|2,0,0]=4 13065 B13R1.669 CCCCNc1ccc(c(c1)O)C 7a_100000759471_100000210211 [0,2,0,0,0,0|2,0,0]=4 13066 B13R1.669 CCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210210 [0,2,0,0,0,0|2,0,0]=4 13067 B13R1.669 CCCCNc1ccc(c(c1)O)F 34a_100012017398_100000210210 [0,2,0,0,0,0|2,0,0]=4 13068 B13R1.669 CCCCNc1ccc(c(c1)O)F 7a_100012017398_100000210211 [0,2,0,0,0,0|2,0,0]=4 13069 B13R1.669 CCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210210 [0,2,0,0,0,0|2,0,0]=4 13070 B13R1.669 CCCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210210 [0,2,0,0,0,0|2,0,0]=4 13071 B13R1.669 CCCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210211 [0,2,0,0,0,0|2,0,0]=4 13072 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210210 [0,2,0,0,0,0|2,0,0]=4 13073 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210211 [0,2,0,0,0,0|2,0,0]=4 13074 B13R1.669 CCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210210 [0,2,0,0,0,0|2,0,0]=4 13075 B13R1.669 CCCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210211 [0,2,0,0,0,0|2,0,0]=4 13076 B13R1.669 CCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210210 [0,2,0,0,0,0|2,0,0]=4 13077 B13R1.669 CCCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210211 [0,2,0,0,0,0|2,0,0]=4 13078 B13R1.669 CCCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 13079 B13R1.669 CCCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210211 [0,2,0,0,0,0|2,0,0]=4 13080 B13R1.669 CCCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210210 [0,2,0,0,0,0|2,0,0]=4 13081 B13R1.669 CCCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210211 [0,2,0,0,0,0|2,0,0]=4 13082 B13R1.669 CCCCOc1ccc(c(c1)C)C 34a_100000210932_100000210210 [0,2,0,0,0,0|2,0,0]=4 13083 B13R1.669 CCCCOc1ccc(c(c1)C)C 7a_100000210932_100000210211 [0,2,0,0,0,0|2,0,0]=4 13084 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210210 [0,2,0,0,0,0|2,0,0]=4 13085 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210211 [0,2,0,0,0,0|2,0,0]=4 13086 B13R1.669 CCCCOc1ccc(c(c1)C)F 34a_100000751312_100000210210 [0,2,0,0,0,0|2,0,0]=4 13087 B13R1.669 CCCCOc1ccc(c(c1)C)F 7a_100000751312_100000210211 [0,2,0,0,0,0|2,0,0]=4 13088 B13R1.669 CCCCOc1ccc(c(c1)C)I 34a_100000729255_100000210210 [0,2,0,0,0,0|2,0,0]=4 13089 B13R1.669 CCCCOc1ccc(c(c1)C)I 7a_100000729255_100000210211 [0,2,0,0,0,0|2,0,0]=4 13090 B13R1.669 CCCCOc1ccc(c(c1)C)N 34a_100000756630_100000210210 [0,2,0,0,0,0|2,0,0]=4 13091 B13R1.669 CCCCOc1ccc(c(c1)C)N 7a_100000756630_100000210211 [0,2,0,0,0,0|2,0,0]=4 13092 B13R1.669 CCCCOc1ccc(c(c1)C)O 271570a_203496583355_200012350294 [0,2,0,0,0,0|2,0,0]=4 13093 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210210 [0,2,0,0,0,0|2,0,0]=4 13094 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210211 [0,2,0,0,0,0|2,0,0]=4 13095 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210210 [0,2,0,0,0,0|2,0,0]=4 13096 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210211 [0,2,0,0,0,0|2,0,0]=4 13097 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210210 [0,2,0,0,0,0|2,0,0]=4 13098 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210211 [0,2,0,0,0,0|2,0,0]=4 13099 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210210 [0,2,0,0,0,0|2,0,0]=4 13100 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210211 [0,2,0,0,0,0|2,0,0]=4 13101 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210210 [0,2,0,0,0,0|2,0,0]=4 13102 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210211 [0,2,0,0,0,0|2,0,0]=4 13103 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210210 [0,2,0,0,0,0|2,0,0]=4 13104 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210211 [0,2,0,0,0,0|2,0,0]=4 13105 B13R1.669 CCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210210 [0,2,0,0,0,0|2,0,0]=4 13106 B13R1.669 CCCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210211 [0,2,0,0,0,0|2,0,0]=4 13107 B13R1.669 CCCCOc1ccc(c(c1)F)C 34a_100000722560_100000210210 [0,2,0,0,0,0|2,0,0]=4 13108 B13R1.669 CCCCOc1ccc(c(c1)F)C 7a_100000722560_100000210211 [0,2,0,0,0,0|2,0,0]=4 13109 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210210 [0,2,0,0,0,0|2,0,0]=4 13110 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210211 [0,2,0,0,0,0|2,0,0]=4 13111 B13R1.669 CCCCOc1ccc(c(c1)F)F 34a_100000181275_100000210210 [0,2,0,0,0,0|2,0,0]=4 13112 B13R1.669 CCCCOc1ccc(c(c1)F)F 7a_100000181275_100000210211 [0,2,0,0,0,0|2,0,0]=4 13113 B13R1.669 CCCCOc1ccc(c(c1)F)I 34a_100009990212_100000210210 [0,2,0,0,0,0|2,0,0]=4 13114 B13R1.669 CCCCOc1ccc(c(c1)F)I 7a_100009990212_100000210211 [0,2,0,0,0,0|2,0,0]=4 13115 B13R1.669 CCCCOc1ccc(c(c1)F)N 34a_100000759473_100000210210 [0,2,0,0,0,0|2,0,0]=4 13116 B13R1.669 CCCCOc1ccc(c(c1)F)N 7a_100000759473_100000210211 [0,2,0,0,0,0|2,0,0]=4 13117 B13R1.669 CCCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236941 [0,2,0,0,0,0|2,0,0]=4 13118 B13R1.669 CCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210210 [0,2,0,0,0,0|2,0,0]=4 13119 B13R1.669 CCCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210211 [0,2,0,0,0,0|2,0,0]=4 13120 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210210 [0,2,0,0,0,0|2,0,0]=4 13121 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210211 [0,2,0,0,0,0|2,0,0]=4 13122 B13R1.669 CCCCOc1ccc(c(c1)I)N 34a_100010084370_100000210210 [0,2,0,0,0,0|2,0,0]=4 13123 B13R1.669 CCCCOc1ccc(c(c1)I)N 7a_100010084370_100000210211 [0,2,0,0,0,0|2,0,0]=4 13124 B13R1.669 CCCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210210 [0,2,0,0,0,0|2,0,0]=4 13125 B13R1.669 CCCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210211 [0,2,0,0,0,0|2,0,0]=4 13126 B13R1.669 CCCCOc1ccc(c(c1)N)C 34a_100011216113_100000210210 [0,2,0,0,0,0|2,0,0]=4 13127 B13R1.669 CCCCOc1ccc(c(c1)N)C 7a_100011216113_100000210211 [0,2,0,0,0,0|2,0,0]=4 13128 B13R1.669 CCCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210210 [0,2,0,0,0,0|2,0,0]=4 13129 B13R1.669 CCCCOc1ccc(c(c1)N)F 34a_100012017239_100000210210 [0,2,0,0,0,0|2,0,0]=4 13130 B13R1.669 CCCCOc1ccc(c(c1)N)F 7a_100012017239_100000210211 [0,2,0,0,0,0|2,0,0]=4 13131 B13R1.669 CCCCOc1ccc(c(c1)N)N 34a_100025771000_100000210210 [0,2,0,0,0,0|2,0,0]=4 13132 B13R1.669 CCCCSc1ccc(c(c1)Br)C 62a_100000210211_100011847877 [0,2,0,0,0,0|2,0,0]=4 13133 B13R1.669 CCCCSc1ccc(c(c1)Br)C 62a_100011847877_100000210210 [0,2,0,0,0,0|2,0,0]=4 13134 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100000210211_100012353702 [0,2,0,0,0,0|2,0,0]=4 13135 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210210 [0,2,0,0,0,0|2,0,0]=4 13136 B13R1.669 CCCCSc1ccc(c(c1)Br)F 62a_100000210211_100012047266 [0,2,0,0,0,0|2,0,0]=4 13137 B13R1.669 CCCCSc1ccc(c(c1)Br)F 62a_100012047266_100000210210 [0,2,0,0,0,0|2,0,0]=4 13138 B13R1.669 CCCCSc1ccc(c(c1)Br)N 62a_100000210211_100000750455 [0,2,0,0,0,0|2,0,0]=4 13139 B13R1.669 CCCCSc1ccc(c(c1)Br)N 62a_100000750455_100000210210 [0,2,0,0,0,0|2,0,0]=4 13140 B13R1.669 CCCCSc1ccc(c(c1)Br)O 62a_100000210211_100012361655 [0,2,0,0,0,0|2,0,0]=4 13141 B13R1.669 CCCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210210 [0,2,0,0,0,0|2,0,0]=4 13142 B13R1.669 CCCCSc1ccc(c(c1)C)Br 62a_100000210211_100009813585 [0,2,0,0,0,0|2,0,0]=4 13143 B13R1.669 CCCCSc1ccc(c(c1)C)Br 62a_100009813585_100000210210 [0,2,0,0,0,0|2,0,0]=4 13144 B13R1.669 CCCCSc1ccc(c(c1)C)C 62a_100000210211_100011215607 [0,2,0,0,0,0|2,0,0]=4 13145 B13R1.669 CCCCSc1ccc(c(c1)C)C 62a_100011215607_100000210210 [0,2,0,0,0,0|2,0,0]=4 13146 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210210 [0,2,0,0,0,0|2,0,0]=4 13147 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000210211_100000049509 [0,2,0,0,0,0|2,0,0]=4 13148 B13R1.669 CCCCSc1ccc(c(c1)C)F 62a_100000210211_100011218330 [0,2,0,0,0,0|2,0,0]=4 13149 B13R1.669 CCCCSc1ccc(c(c1)C)F 62a_100011218330_100000210210 [0,2,0,0,0,0|2,0,0]=4 13150 B13R1.669 CCCCSc1ccc(c(c1)C)N 62a_100000210211_100000211769 [0,2,0,0,0,0|2,0,0]=4 13151 B13R1.669 CCCCSc1ccc(c(c1)C)N 62a_100000211769_100000210210 [0,2,0,0,0,0|2,0,0]=4 13152 B13R1.669 CCCCSc1ccc(c(c1)C)O 62a_100000210211_100000186361 [0,2,0,0,0,0|2,0,0]=4 13153 B13R1.669 CCCCSc1ccc(c(c1)Cl)Br 62a_100000210211_100012047281 [0,2,0,0,0,0|2,0,0]=4 13154 B13R1.669 CCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210210 [0,2,0,0,0,0|2,0,0]=4 13155 B13R1.669 CCCCSc1ccc(c(c1)Cl)C 62a_100000210211_100011216363 [0,2,0,0,0,0|2,0,0]=4 13156 B13R1.669 CCCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210210 [0,2,0,0,0,0|2,0,0]=4 13157 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100000210211_100011214914 [0,2,0,0,0,0|2,0,0]=4 13158 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210210 [0,2,0,0,0,0|2,0,0]=4 13159 B13R1.669 CCCCSc1ccc(c(c1)Cl)F 62a_100000210211_100011215976 [0,2,0,0,0,0|2,0,0]=4 13160 B13R1.669 CCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210210 [0,2,0,0,0,0|2,0,0]=4 13161 B13R1.669 CCCCSc1ccc(c(c1)Cl)N 62a_100000210211_100011218065 [0,2,0,0,0,0|2,0,0]=4 13162 B13R1.669 CCCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210210 [0,2,0,0,0,0|2,0,0]=4 13163 B13R1.669 CCCCSc1ccc(c(c1)Cl)O 62a_100000210211_100012360047 [0,2,0,0,0,0|2,0,0]=4 13164 B13R1.669 CCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210210 [0,2,0,0,0,0|2,0,0]=4 13165 B13R1.669 CCCCSc1ccc(c(c1)F)Br 62a_100000210211_100000685389 [0,2,0,0,0,0|2,0,0]=4 13166 B13R1.669 CCCCSc1ccc(c(c1)F)Br 62a_100000685389_100000210210 [0,2,0,0,0,0|2,0,0]=4 13167 B13R1.669 CCCCSc1ccc(c(c1)F)C 62a_100000210211_100000720648 [0,2,0,0,0,0|2,0,0]=4 13168 B13R1.669 CCCCSc1ccc(c(c1)F)C 62a_100000720648_100000210210 [0,2,0,0,0,0|2,0,0]=4 13169 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100000210211_100011216805 [0,2,0,0,0,0|2,0,0]=4 13170 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210210 [0,2,0,0,0,0|2,0,0]=4 13171 B13R1.669 CCCCSc1ccc(c(c1)F)F 62a_100000210211_100000703953 [0,2,0,0,0,0|2,0,0]=4 13172 B13R1.669 CCCCSc1ccc(c(c1)F)F 62a_100000703953_100000210210 [0,2,0,0,0,0|2,0,0]=4 13173 B13R1.669 CCCCSc1ccc(c(c1)F)N 62a_100000210211_100011215594 [0,2,0,0,0,0|2,0,0]=4 13174 B13R1.669 CCCCSc1ccc(c(c1)F)N 62a_100011215594_100000210210 [0,2,0,0,0,0|2,0,0]=4 13175 B13R1.669 CCCCSc1ccc(c(c1)F)O 62a_100000185481_100000210210 [0,2,0,0,0,0|2,0,0]=4 13176 B13R1.669 CCCCSc1ccc(c(c1)F)O 62a_100000210211_100000185481 [0,2,0,0,0,0|2,0,0]=4 13177 B13R1.669 CCCCSc1ccc(c(c1)N)Br 62a_100000210211_100000750456 [0,2,0,0,0,0|2,0,0]=4 13178 B13R1.669 CCCCSc1ccc(c(c1)N)Br 62a_100000750456_100000210210 [0,2,0,0,0,0|2,0,0]=4 13179 B13R1.669 CCCCSc1ccc(c(c1)N)C 62a_100000210211_100000761890 [0,2,0,0,0,0|2,0,0]=4 13180 B13R1.669 CCCCSc1ccc(c(c1)N)C 62a_100000761890_100000210210 [0,2,0,0,0,0|2,0,0]=4 13181 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_100000210211_200000761891 [0,2,0,0,0,0|2,0,0]=4 13182 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210210 [0,2,0,0,0,0|2,0,0]=4 13183 B13R1.669 CCCCSc1ccc(c(c1)N)F 62a_100000210211_100000740924 [0,2,0,0,0,0|2,0,0]=4 13184 B13R1.669 CCCCSc1ccc(c(c1)N)F 62a_100000740924_100000210210 [0,2,0,0,0,0|2,0,0]=4 13185 B13R1.669 CCCCSc1ccc(c(c1)N)N 62a_100000210211_100011534411 [0,2,0,0,0,0|2,0,0]=4 13186 B13R1.669 CCCCSc1ccc(c(c1)N)N 62a_100000741789_100000210210 [0,2,0,0,0,0|2,0,0]=4 13187 B13R1.669 CCCCSc1ccc(c(c1)N)O 62a_100000210211_100000752626 [0,2,0,0,0,0|2,0,0]=4 13188 B13R1.669 CCCCSc1ccc(c(c1)N)O 62a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 13189 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100000210211_100012356990 [0,2,0,0,0,0|2,0,0]=4 13190 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210210 [0,2,0,0,0,0|2,0,0]=4 13191 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000210211_100000685420 [0,2,0,0,0,0|2,0,0]=4 13192 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000685420_100000210210 [0,2,0,0,0,0|2,0,0]=4 13193 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100000210211_100011356854 [0,2,0,0,0,0|2,0,0]=4 13194 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210210 [0,2,0,0,0,0|2,0,0]=4 13195 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000210211_100000686035 [0,2,0,0,0,0|2,0,0]=4 13196 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000686035_100000210210 [0,2,0,0,0,0|2,0,0]=4 13197 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000210211_100000739049 [0,2,0,0,0,0|2,0,0]=4 13198 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 13199 B13R1.669 CCCCSc1ccc(c(c1)O)O 62a_100000210211_100009813601 [0,2,0,0,0,0|2,0,0]=4 13200 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 207a_100020643023_100011215943 [0,2,0,0,0,0|2,0,0]=4 13201 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210303 [0,2,0,0,0,0|2,0,0]=4 13202 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 270004a_100020643023_100011215943 [0,2,0,0,0,0|2,0,0]=4 13203 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000210303 [0,2,0,0,0,0|2,0,0]=4 13204 B13R1.669 CCCNCc1ccc(c(c1)Br)C 207a_100020643023_100000695567 [0,2,0,0,0,0|2,0,0]=4 13205 B13R1.669 CCCNCc1ccc(c(c1)Br)C 270004a_100020643023_100000695567 [0,2,0,0,0,0|2,0,0]=4 13206 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 207a_100020643023_100000693810 [0,2,0,0,0,0|2,0,0]=4 13207 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210303 [0,2,0,0,0,0|2,0,0]=4 13208 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 270004a_100020643023_100000693810 [0,2,0,0,0,0|2,0,0]=4 13209 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210303 [0,2,0,0,0,0|2,0,0]=4 13210 B13R1.669 CCCNCc1ccc(c(c1)Br)F 207a_100020643023_100000211747 [0,2,0,0,0,0|2,0,0]=4 13211 B13R1.669 CCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000210303 [0,2,0,0,0,0|2,0,0]=4 13212 B13R1.669 CCCNCc1ccc(c(c1)Br)F 270004a_100020643023_100000211747 [0,2,0,0,0,0|2,0,0]=4 13213 B13R1.669 CCCNCc1ccc(c(c1)Br)F 34a_100015193890_100000210303 [0,2,0,0,0,0|2,0,0]=4 13214 B13R1.669 CCCNCc1ccc(c(c1)C)Br 207a_100020643023_100000765772 [0,2,0,0,0,0|2,0,0]=4 13215 B13R1.669 CCCNCc1ccc(c(c1)C)Br 2230a_100015205234_100000210303 [0,2,0,0,0,0|2,0,0]=4 13216 B13R1.669 CCCNCc1ccc(c(c1)C)Br 270004a_100020643023_100000765772 [0,2,0,0,0,0|2,0,0]=4 13217 B13R1.669 CCCNCc1ccc(c(c1)C)Br 34a_100015205234_100000210303 [0,2,0,0,0,0|2,0,0]=4 13218 B13R1.669 CCCNCc1ccc(c(c1)C)C 207a_100020643023_100000229942 [0,2,0,0,0,0|2,0,0]=4 13219 B13R1.669 CCCNCc1ccc(c(c1)C)C 2230a_100025706692_100000210303 [0,2,0,0,0,0|2,0,0]=4 13220 B13R1.669 CCCNCc1ccc(c(c1)C)C 270004a_100020643023_100000229942 [0,2,0,0,0,0|2,0,0]=4 13221 B13R1.669 CCCNCc1ccc(c(c1)C)C 34a_100025706692_100000210303 [0,2,0,0,0,0|2,0,0]=4 13222 B13R1.669 CCCNCc1ccc(c(c1)C)Cl 207a_100020643023_100000698814 [0,2,0,0,0,0|2,0,0]=4 13223 B13R1.669 CCCNCc1ccc(c(c1)C)Cl 270004a_100020643023_100000698814 [0,2,0,0,0,0|2,0,0]=4 13224 B13R1.669 CCCNCc1ccc(c(c1)C)F 207a_100020643023_100000748208 [0,2,0,0,0,0|2,0,0]=4 13225 B13R1.669 CCCNCc1ccc(c(c1)C)F 2230a_100000239911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13226 B13R1.669 CCCNCc1ccc(c(c1)C)F 270004a_100020643023_100000748208 [0,2,0,0,0,0|2,0,0]=4 13227 B13R1.669 CCCNCc1ccc(c(c1)C)F 34a_100000239911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13228 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 207a_100020643023_100000690054 [0,2,0,0,0,0|2,0,0]=4 13229 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210303 [0,2,0,0,0,0|2,0,0]=4 13230 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 270004a_100020643023_100000690054 [0,2,0,0,0,0|2,0,0]=4 13231 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000210303 [0,2,0,0,0,0|2,0,0]=4 13232 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 207a_100020643023_100000760539 [0,2,0,0,0,0|2,0,0]=4 13233 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 2230a_102495364989_100000210303 [0,2,0,0,0,0|2,0,0]=4 13234 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 270004a_100020643023_100000760539 [0,2,0,0,0,0|2,0,0]=4 13235 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 34a_102495364989_100000210303 [0,2,0,0,0,0|2,0,0]=4 13236 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 207a_100020643023_100000188533 [0,2,0,0,0,0|2,0,0]=4 13237 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210303 [0,2,0,0,0,0|2,0,0]=4 13238 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 270004a_100020643023_100000188533 [0,2,0,0,0,0|2,0,0]=4 13239 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210303 [0,2,0,0,0,0|2,0,0]=4 13240 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 207a_100020643023_100000742290 [0,2,0,0,0,0|2,0,0]=4 13241 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210303 [0,2,0,0,0,0|2,0,0]=4 13242 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 270004a_100020643023_100000742290 [0,2,0,0,0,0|2,0,0]=4 13243 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000210303 [0,2,0,0,0,0|2,0,0]=4 13244 B13R1.669 CCCNCc1ccc(c(c1)F)Br 207a_100020643023_100000686674 [0,2,0,0,0,0|2,0,0]=4 13245 B13R1.669 CCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000210303 [0,2,0,0,0,0|2,0,0]=4 13246 B13R1.669 CCCNCc1ccc(c(c1)F)Br 270004a_100020643023_100000686674 [0,2,0,0,0,0|2,0,0]=4 13247 B13R1.669 CCCNCc1ccc(c(c1)F)Br 34a_100000755036_100000210303 [0,2,0,0,0,0|2,0,0]=4 13248 B13R1.669 CCCNCc1ccc(c(c1)F)C 207a_100020643023_100000753222 [0,2,0,0,0,0|2,0,0]=4 13249 B13R1.669 CCCNCc1ccc(c(c1)F)C 2230a_100102708794_100000210303 [0,2,0,0,0,0|2,0,0]=4 13250 B13R1.669 CCCNCc1ccc(c(c1)F)C 270004a_100020643023_100000753222 [0,2,0,0,0,0|2,0,0]=4 13251 B13R1.669 CCCNCc1ccc(c(c1)F)C 34a_100102708794_100000210303 [0,2,0,0,0,0|2,0,0]=4 13252 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 207a_100020643023_100000745630 [0,2,0,0,0,0|2,0,0]=4 13253 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210303 [0,2,0,0,0,0|2,0,0]=4 13254 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 270004a_100020643023_100000745630 [0,2,0,0,0,0|2,0,0]=4 13255 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000210303 [0,2,0,0,0,0|2,0,0]=4 13256 B13R1.669 CCCNCc1ccc(c(c1)F)F 207a_100020643023_100000211062 [0,2,0,0,0,0|2,0,0]=4 13257 B13R1.669 CCCNCc1ccc(c(c1)F)F 2230a_100000737897_100000210303 [0,2,0,0,0,0|2,0,0]=4 13258 B13R1.669 CCCNCc1ccc(c(c1)F)F 270004a_100020643023_100000211062 [0,2,0,0,0,0|2,0,0]=4 13259 B13R1.669 CCCNCc1ccc(c(c1)F)F 34a_100000737897_100000210303 [0,2,0,0,0,0|2,0,0]=4 13260 B13R1.669 CCCNCc1ccc(c(c1)F)I 207a_100020643023_100000050832 [0,2,0,0,0,0|2,0,0]=4 13261 B13R1.669 CCCNCc1ccc(c(c1)F)I 270004a_100020643023_100000050832 [0,2,0,0,0,0|2,0,0]=4 13262 B13R1.669 CCCNCc1ccc(c(c1)F)O 34a_100000758358_100000210303 [0,2,0,0,0,0|2,0,0]=4 13263 B13R1.669 CCCNCc1ccc(c(c1)I)Br 207a_100020643023_100010146563 [0,2,0,0,0,0|2,0,0]=4 13264 B13R1.669 CCCNCc1ccc(c(c1)I)Br 270004a_100020643023_100010146563 [0,2,0,0,0,0|2,0,0]=4 13265 B13R1.669 CCCNCc1ccc(c(c1)I)C 207a_100020643023_100010197721 [0,2,0,0,0,0|2,0,0]=4 13266 B13R1.669 CCCNCc1ccc(c(c1)I)C 270004a_100020643023_100010197721 [0,2,0,0,0,0|2,0,0]=4 13267 B13R1.669 CCCNCc1ccc(c(c1)I)Cl 207a_100020643023_100010209939 [0,2,0,0,0,0|2,0,0]=4 13268 B13R1.669 CCCNCc1ccc(c(c1)I)Cl 270004a_100020643023_100010209939 [0,2,0,0,0,0|2,0,0]=4 13269 B13R1.669 CCCNCc1ccc(c(c1)I)F 207a_100020643023_100010188209 [0,2,0,0,0,0|2,0,0]=4 13270 B13R1.669 CCCNCc1ccc(c(c1)I)F 270004a_100020643023_100010188209 [0,2,0,0,0,0|2,0,0]=4 13271 B13R1.669 CCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210303 [0,2,0,0,0,0|2,0,0]=4 13272 B13R1.669 CCCNCc1ccc(c(c1)O)F 34a_100160469508_100000210303 [0,2,0,0,0,0|2,0,0]=4 13273 B13R1.669 CCCNCc1ccc(c(c1)O)O 34a_100000010075_100000210303 [0,2,0,0,0,0|2,0,0]=4 13274 B13R1.669 CCCOCc1ccc(c(c1)Br)Br 34a_100000210258_100012353900 [0,2,0,0,0,0|2,0,0]=4 13275 B13R1.669 CCCOCc1ccc(c(c1)Br)C 34a_100000210258_100012232412 [0,2,0,0,0,0|2,0,0]=4 13276 B13R1.669 CCCOCc1ccc(c(c1)Br)C 34a_100000708995_100000210303 [0,2,0,0,0,0|2,0,0]=4 13277 B13R1.669 CCCOCc1ccc(c(c1)Br)C 7a_100000708995_100000210303 [0,2,0,0,0,0|2,0,0]=4 13278 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 34a_100000210258_100012353894 [0,2,0,0,0,0|2,0,0]=4 13279 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000210303 [0,2,0,0,0,0|2,0,0]=4 13280 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000210303 [0,2,0,0,0,0|2,0,0]=4 13281 B13R1.669 CCCOCc1ccc(c(c1)Br)F 34a_100000210258_100011206884 [0,2,0,0,0,0|2,0,0]=4 13282 B13R1.669 CCCOCc1ccc(c(c1)Br)F 34a_100000246287_100000210303 [0,2,0,0,0,0|2,0,0]=4 13283 B13R1.669 CCCOCc1ccc(c(c1)Br)F 7a_100000246287_100000210303 [0,2,0,0,0,0|2,0,0]=4 13284 B13R1.669 CCCOCc1ccc(c(c1)C)Br 34a_100000210258_100000727479 [0,2,0,0,0,0|2,0,0]=4 13285 B13R1.669 CCCOCc1ccc(c(c1)C)Br 34a_100000718852_100000210303 [0,2,0,0,0,0|2,0,0]=4 13286 B13R1.669 CCCOCc1ccc(c(c1)C)Br 7a_100000718852_100000210303 [0,2,0,0,0,0|2,0,0]=4 13287 B13R1.669 CCCOCc1ccc(c(c1)C)C 34a_100000210258_100000742320 [0,2,0,0,0,0|2,0,0]=4 13288 B13R1.669 CCCOCc1ccc(c(c1)C)C 34a_100011215342_100000210303 [0,2,0,0,0,0|2,0,0]=4 13289 B13R1.669 CCCOCc1ccc(c(c1)C)C 7a_100011215342_100000210303 [0,2,0,0,0,0|2,0,0]=4 13290 B13R1.669 CCCOCc1ccc(c(c1)C)Cl 34a_100000210258_100012184735 [0,2,0,0,0,0|2,0,0]=4 13291 B13R1.669 CCCOCc1ccc(c(c1)C)F 34a_100000210258_100011216667 [0,2,0,0,0,0|2,0,0]=4 13292 B13R1.669 CCCOCc1ccc(c(c1)C)F 34a_100011219793_100000210303 [0,2,0,0,0,0|2,0,0]=4 13293 B13R1.669 CCCOCc1ccc(c(c1)C)F 7a_100011219793_100000210303 [0,2,0,0,0,0|2,0,0]=4 13294 B13R1.669 CCCOCc1ccc(c(c1)C)N 34a_200011997030_100000210303 [0,2,0,0,0,0|2,0,0]=4 13295 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 34a_100000210258_100012353895 [0,2,0,0,0,0|2,0,0]=4 13296 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000210303 [0,2,0,0,0,0|2,0,0]=4 13297 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100000210303 [0,2,0,0,0,0|2,0,0]=4 13298 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 34a_100000210258_100011823929 [0,2,0,0,0,0|2,0,0]=4 13299 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 34a_100011290783_100000210303 [0,2,0,0,0,0|2,0,0]=4 13300 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 7a_100011290783_100000210303 [0,2,0,0,0,0|2,0,0]=4 13301 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 34a_100000210258_100000184707 [0,2,0,0,0,0|2,0,0]=4 13302 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000210303 [0,2,0,0,0,0|2,0,0]=4 13303 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000210303 [0,2,0,0,0,0|2,0,0]=4 13304 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 34a_100000210258_100011934319 [0,2,0,0,0,0|2,0,0]=4 13305 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13306 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13307 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 34a_100000210258_100012349665 [0,2,0,0,0,0|2,0,0]=4 13308 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000210303 [0,2,0,0,0,0|2,0,0]=4 13309 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100000210303 [0,2,0,0,0,0|2,0,0]=4 13310 B13R1.669 CCCOCc1ccc(c(c1)F)Br 34a_100000210258_100000767054 [0,2,0,0,0,0|2,0,0]=4 13311 B13R1.669 CCCOCc1ccc(c(c1)F)Br 34a_100011533735_100000210303 [0,2,0,0,0,0|2,0,0]=4 13312 B13R1.669 CCCOCc1ccc(c(c1)F)Br 7a_100011533735_100000210303 [0,2,0,0,0,0|2,0,0]=4 13313 B13R1.669 CCCOCc1ccc(c(c1)F)C 34a_100000210258_100011217369 [0,2,0,0,0,0|2,0,0]=4 13314 B13R1.669 CCCOCc1ccc(c(c1)F)C 34a_100000702247_100000210303 [0,2,0,0,0,0|2,0,0]=4 13315 B13R1.669 CCCOCc1ccc(c(c1)F)C 7a_100000702247_100000210303 [0,2,0,0,0,0|2,0,0]=4 13316 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 34a_100000210258_100011519011 [0,2,0,0,0,0|2,0,0]=4 13317 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000210303 [0,2,0,0,0,0|2,0,0]=4 13318 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000210303 [0,2,0,0,0,0|2,0,0]=4 13319 B13R1.669 CCCOCc1ccc(c(c1)F)F 34a_100000210258_100000757363 [0,2,0,0,0,0|2,0,0]=4 13320 B13R1.669 CCCOCc1ccc(c(c1)F)F 34a_100011215442_100000210303 [0,2,0,0,0,0|2,0,0]=4 13321 B13R1.669 CCCOCc1ccc(c(c1)F)F 7a_100011215442_100000210303 [0,2,0,0,0,0|2,0,0]=4 13322 B13R1.669 CCCOCc1ccc(c(c1)F)I 34a_100000210258_100010149604 [0,2,0,0,0,0|2,0,0]=4 13323 B13R1.669 CCCOCc1ccc(c(c1)F)I 34a_100010149597_100000210303 [0,2,0,0,0,0|2,0,0]=4 13324 B13R1.669 CCCOCc1ccc(c(c1)F)I 7a_100010149597_100000210303 [0,2,0,0,0,0|2,0,0]=4 13325 B13R1.669 CCCOCc1ccc(c(c1)F)N 34a_100011217239_100000210303 [0,2,0,0,0,0|2,0,0]=4 13326 B13R1.669 CCCOCc1ccc(c(c1)I)Br 34a_100000210258_100010146616 [0,2,0,0,0,0|2,0,0]=4 13327 B13R1.669 CCCOCc1ccc(c(c1)I)C 34a_100000050133_100000210303 [0,2,0,0,0,0|2,0,0]=4 13328 B13R1.669 CCCOCc1ccc(c(c1)I)C 34a_100000210258_100010206137 [0,2,0,0,0,0|2,0,0]=4 13329 B13R1.669 CCCOCc1ccc(c(c1)I)C 7a_100000050133_100000210303 [0,2,0,0,0,0|2,0,0]=4 13330 B13R1.669 CCCOCc1ccc(c(c1)I)F 34a_100000049585_100000210303 [0,2,0,0,0,0|2,0,0]=4 13331 B13R1.669 CCCOCc1ccc(c(c1)I)F 34a_100000210258_100010188208 [0,2,0,0,0,0|2,0,0]=4 13332 B13R1.669 CCCOCc1ccc(c(c1)I)F 7a_100000049585_100000210303 [0,2,0,0,0,0|2,0,0]=4 13333 B13R1.669 CCCOCc1ccc(c(c1)N)Br 34a_100012347568_100000210303 [0,2,0,0,0,0|2,0,0]=4 13334 B13R1.669 CCCOCc1ccc(c(c1)N)C 34a_100000758420_100000210303 [0,2,0,0,0,0|2,0,0]=4 13335 B13R1.669 CCCOCc1ccc(c(c1)N)Cl 34a_106256033963_100000210303 [0,2,0,0,0,0|2,0,0]=4 13336 B13R1.669 CCCOCc1ccc(c(c1)N)F 34a_102125399562_100000210303 [0,2,0,0,0,0|2,0,0]=4 13337 B13R1.669 CCCSCc1ccc(c(c1)Br)Br 62a_100000210303_100012353900 [0,2,0,0,0,0|2,0,0]=4 13338 B13R1.669 CCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100000210303 [0,2,0,0,0,0|2,0,0]=4 13339 B13R1.669 CCCSCc1ccc(c(c1)Br)C 62a_100000210303_100012232412 [0,2,0,0,0,0|2,0,0]=4 13340 B13R1.669 CCCSCc1ccc(c(c1)Br)C 62a_100012232412_100000210303 [0,2,0,0,0,0|2,0,0]=4 13341 B13R1.669 CCCSCc1ccc(c(c1)Br)Cl 62a_100000210303_100012353894 [0,2,0,0,0,0|2,0,0]=4 13342 B13R1.669 CCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210303 [0,2,0,0,0,0|2,0,0]=4 13343 B13R1.669 CCCSCc1ccc(c(c1)Br)F 62a_100000210303_100011206884 [0,2,0,0,0,0|2,0,0]=4 13344 B13R1.669 CCCSCc1ccc(c(c1)Br)F 62a_100011206884_100000210303 [0,2,0,0,0,0|2,0,0]=4 13345 B13R1.669 CCCSCc1ccc(c(c1)C)Br 62a_100000210303_100000727479 [0,2,0,0,0,0|2,0,0]=4 13346 B13R1.669 CCCSCc1ccc(c(c1)C)Br 62a_100000727479_100000210303 [0,2,0,0,0,0|2,0,0]=4 13347 B13R1.669 CCCSCc1ccc(c(c1)C)C 62a_100000210303_100000742320 [0,2,0,0,0,0|2,0,0]=4 13348 B13R1.669 CCCSCc1ccc(c(c1)C)C 62a_100000742320_100000210303 [0,2,0,0,0,0|2,0,0]=4 13349 B13R1.669 CCCSCc1ccc(c(c1)C)Cl 62a_100000210303_100012184735 [0,2,0,0,0,0|2,0,0]=4 13350 B13R1.669 CCCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000210303 [0,2,0,0,0,0|2,0,0]=4 13351 B13R1.669 CCCSCc1ccc(c(c1)C)F 62a_100000210303_100011216667 [0,2,0,0,0,0|2,0,0]=4 13352 B13R1.669 CCCSCc1ccc(c(c1)C)F 62a_100011216667_100000210303 [0,2,0,0,0,0|2,0,0]=4 13353 B13R1.669 CCCSCc1ccc(c(c1)Cl)Br 62a_100000210303_100012353895 [0,2,0,0,0,0|2,0,0]=4 13354 B13R1.669 CCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000210303 [0,2,0,0,0,0|2,0,0]=4 13355 B13R1.669 CCCSCc1ccc(c(c1)Cl)C 62a_100000210303_100011823929 [0,2,0,0,0,0|2,0,0]=4 13356 B13R1.669 CCCSCc1ccc(c(c1)Cl)C 62a_100011823929_100000210303 [0,2,0,0,0,0|2,0,0]=4 13357 B13R1.669 CCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210303 [0,2,0,0,0,0|2,0,0]=4 13358 B13R1.669 CCCSCc1ccc(c(c1)Cl)Cl 62a_100000210303_100000184707 [0,2,0,0,0,0|2,0,0]=4 13359 B13R1.669 CCCSCc1ccc(c(c1)Cl)F 62a_100000210303_100011934319 [0,2,0,0,0,0|2,0,0]=4 13360 B13R1.669 CCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100000210303 [0,2,0,0,0,0|2,0,0]=4 13361 B13R1.669 CCCSCc1ccc(c(c1)Cl)I 62a_100000210303_100012349665 [0,2,0,0,0,0|2,0,0]=4 13362 B13R1.669 CCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100000210303 [0,2,0,0,0,0|2,0,0]=4 13363 B13R1.669 CCCSCc1ccc(c(c1)F)Br 62a_100000210303_100000767054 [0,2,0,0,0,0|2,0,0]=4 13364 B13R1.669 CCCSCc1ccc(c(c1)F)Br 62a_100000767054_100000210303 [0,2,0,0,0,0|2,0,0]=4 13365 B13R1.669 CCCSCc1ccc(c(c1)F)C 62a_100000210303_100011217369 [0,2,0,0,0,0|2,0,0]=4 13366 B13R1.669 CCCSCc1ccc(c(c1)F)C 62a_100011217369_100000210303 [0,2,0,0,0,0|2,0,0]=4 13367 B13R1.669 CCCSCc1ccc(c(c1)F)Cl 62a_100000210303_100000716492 [0,2,0,0,0,0|2,0,0]=4 13368 B13R1.669 CCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000210303 [0,2,0,0,0,0|2,0,0]=4 13369 B13R1.669 CCCSCc1ccc(c(c1)F)F 62a_100000210303_100000757363 [0,2,0,0,0,0|2,0,0]=4 13370 B13R1.669 CCCSCc1ccc(c(c1)F)F 62a_100000757363_100000210303 [0,2,0,0,0,0|2,0,0]=4 13371 B13R1.669 CCCSCc1ccc(c(c1)F)I 62a_100000210303_100010149604 [0,2,0,0,0,0|2,0,0]=4 13372 B13R1.669 CCCSCc1ccc(c(c1)F)I 62a_100010149604_100000210303 [0,2,0,0,0,0|2,0,0]=4 13373 B13R1.669 CCCSCc1ccc(c(c1)I)Br 62a_100000210303_100010146616 [0,2,0,0,0,0|2,0,0]=4 13374 B13R1.669 CCCSCc1ccc(c(c1)I)Br 62a_100010146616_100000210303 [0,2,0,0,0,0|2,0,0]=4 13375 B13R1.669 CCCSCc1ccc(c(c1)I)C 62a_100000210303_100010206137 [0,2,0,0,0,0|2,0,0]=4 13376 B13R1.669 CCCSCc1ccc(c(c1)I)C 62a_100010206137_100000210303 [0,2,0,0,0,0|2,0,0]=4 13377 B13R1.669 CCCSCc1ccc(c(c1)I)F 62a_100000210303_100010188208 [0,2,0,0,0,0|2,0,0]=4 13378 B13R1.669 CCCSCc1ccc(c(c1)I)F 62a_100010188208_100000210303 [0,2,0,0,0,0|2,0,0]=4 13379 B13R1.669 CCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210202 [0,2,0,0,0,0|2,0,0]=4 13380 B13R1.669 CCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210202 [0,2,0,0,0,0|2,0,0]=4 13381 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210202 [0,2,0,0,0,0|2,0,0]=4 13382 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100011713676 [0,2,0,0,0,0|2,0,0]=4 13383 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210202 [0,2,0,0,0,0|2,0,0]=4 13384 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_100015525214_100012361305 [0,2,0,0,0,0|2,0,0]=4 13385 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210202 [0,2,0,0,0,0|2,0,0]=4 13386 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210202 [0,2,0,0,0,0|2,0,0]=4 13387 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_100015525214_100000690553 [0,2,0,0,0,0|2,0,0]=4 13388 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210202 [0,2,0,0,0,0|2,0,0]=4 13389 B13R1.669 CCNCCc1ccc(c(c1)F)F 34a_200000706328_100000210202 [0,2,0,0,0,0|2,0,0]=4 13390 B13R1.669 CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210202 [0,2,0,0,0,0|2,0,0]=4 13391 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100000210202 [0,2,0,0,0,0|2,0,0]=4 13392 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 34a_100121572206_100011713676 [0,2,0,0,0,0|2,0,0]=4 13393 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100000210202 [0,2,0,0,0,0|2,0,0]=4 13394 B13R1.669 CCOCCc1ccc(c(c1)Cl)F 34a_100011830478_100000210202 [0,2,0,0,0,0|2,0,0]=4 13395 B13R1.669 CCOCCc1ccc(c(c1)Cl)F 34a_100121572206_100012361305 [0,2,0,0,0,0|2,0,0]=4 13396 B13R1.669 CCOCCc1ccc(c(c1)Cl)F 7a_100011830478_100000210202 [0,2,0,0,0,0|2,0,0]=4 13397 B13R1.669 CCOCCc1ccc(c(c1)F)Br 34a_100012921202_100000210202 [0,2,0,0,0,0|2,0,0]=4 13398 B13R1.669 CCOCCc1ccc(c(c1)F)Br 7a_100012921202_100000210202 [0,2,0,0,0,0|2,0,0]=4 13399 B13R1.669 CCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100000210202 [0,2,0,0,0,0|2,0,0]=4 13400 B13R1.669 CCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100000210202 [0,2,0,0,0,0|2,0,0]=4 13401 B13R1.669 CCOCCc1ccc(c(c1)F)F 34a_100000690376_100000210202 [0,2,0,0,0,0|2,0,0]=4 13402 B13R1.669 CCOCCc1ccc(c(c1)F)F 34a_100121572206_100000690553 [0,2,0,0,0,0|2,0,0]=4 13403 B13R1.669 CCOCCc1ccc(c(c1)F)F 7a_100000690376_100000210202 [0,2,0,0,0,0|2,0,0]=4 13404 B13R1.669 CCSCCc1ccc(c(c1)Cl)Cl 62a_100000210202_100011713676 [0,2,0,0,0,0|2,0,0]=4 13405 B13R1.669 CCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100000210202 [0,2,0,0,0,0|2,0,0]=4 13406 B13R1.669 CCSCCc1ccc(c(c1)Cl)F 62a_100000210202_100012361305 [0,2,0,0,0,0|2,0,0]=4 13407 B13R1.669 CCSCCc1ccc(c(c1)Cl)F 62a_100012361305_100000210202 [0,2,0,0,0,0|2,0,0]=4 13408 B13R1.669 CCSCCc1ccc(c(c1)F)F 62a_100000210202_100000690553 [0,2,0,0,0,0|2,0,0]=4 13409 B13R1.669 CCSCCc1ccc(c(c1)F)F 62a_100000690553_100000210202 [0,2,0,0,0,0|2,0,0]=4 13410 B13R1.669 CCSCCc1ccc(c(c1)O)O 62a_100000210202_200010393615 [0,2,0,0,0,0|2,0,0]=4 13411 B13R1.669 Cc1cc(ccc1Br)CNCCF 2230a_100015205234_100011217306 [0,2,0,0,0,0|2,0,0]=4 13412 B13R1.669 Cc1cc(ccc1Br)CNCCF 34a_100000724931_100000727479 [0,2,0,0,0,0|2,0,0]=4 13413 B13R1.669 Cc1cc(ccc1Br)CNCCF 34a_100015205234_100011217306 [0,2,0,0,0,0|2,0,0]=4 13414 B13R1.669 Cc1cc(ccc1Br)CNCCO 207a_100000210304_100000765772 [0,2,0,0,0,0|2,0,0]=4 13415 B13R1.669 Cc1cc(ccc1Br)CNCCO 2230a_100015205234_100000211926 [0,2,0,0,0,0|2,0,0]=4 13416 B13R1.669 Cc1cc(ccc1Br)CNCCO 2230a_100016997473_100000727479 [0,2,0,0,0,0|2,0,0]=4 13417 B13R1.669 Cc1cc(ccc1Br)CNCCO 270004a_100000210304_100000765772 [0,2,0,0,0,0|2,0,0]=4 13418 B13R1.669 Cc1cc(ccc1Br)CNCCO 34a_100015205234_100000211926 [0,2,0,0,0,0|2,0,0]=4 13419 B13R1.669 Cc1cc(ccc1Br)CNCCO 34a_100016990907_100000727479 [0,2,0,0,0,0|2,0,0]=4 13420 B13R1.669 Cc1cc(ccc1Br)COCCBr 34a_100000211926_100000727479 [0,2,0,0,0,0|2,0,0]=4 13421 B13R1.669 Cc1cc(ccc1Br)COCCF 34a_100000718852_100011217306 [0,2,0,0,0,0|2,0,0]=4 13422 B13R1.669 Cc1cc(ccc1Br)COCCF 7a_100000718852_100011217306 [0,2,0,0,0,0|2,0,0]=4 13423 B13R1.669 Cc1cc(ccc1Br)COCCN 34a_100000210304_100000727479 [0,2,0,0,0,0|1,0,0]=3 13424 B13R1.669 Cc1cc(ccc1Br)COCCO 34a_100000718852_100000211926 [0,2,0,0,0,0|2,0,0]=4 13425 B13R1.669 Cc1cc(ccc1Br)COCCO 7a_100000718852_100000211926 [0,2,0,0,0,0|2,0,0]=4 13426 B13R1.669 Cc1cc(ccc1Br)CSCCF 62a_100000727479_100011217306 [0,2,0,0,0,0|2,0,0]=4 13427 B13R1.669 Cc1cc(ccc1Br)CSCCF 62a_100011217306_100000727479 [0,2,0,0,0,0|2,0,0]=4 13428 B13R1.669 Cc1cc(ccc1Br)CSCCO 62a_100000211926_100000727479 [0,2,0,0,0,0|2,0,0]=4 13429 B13R1.669 Cc1cc(ccc1Br)CSCCO 62a_100000727479_100000211926 [0,2,0,0,0,0|2,0,0]=4 13430 B13R1.669 Cc1cc(ccc1Br)NCCCF 2230a_100000210723_100011934791 [0,2,0,0,0,0|2,0,0]=4 13431 B13R1.669 Cc1cc(ccc1Br)NCCCF 34a_100000210723_100011934791 [0,2,0,0,0,0|2,0,0]=4 13432 B13R1.669 Cc1cc(ccc1Br)NCCCF 7a_100000210723_100011934791 [0,2,0,0,0,0|2,0,0]=4 13433 B13R1.669 Cc1cc(ccc1Br)NCCCO 2230a_100000210723_100000230001 [0,2,0,0,0,0|2,0,0]=4 13434 B13R1.669 Cc1cc(ccc1Br)NCCCO 34a_100000210723_100000230001 [0,2,0,0,0,0|2,0,0]=4 13435 B13R1.669 Cc1cc(ccc1Br)NCCCO 7a_100000210723_100011215043 [0,2,0,0,0,0|2,0,0]=4 13436 B13R1.669 Cc1cc(ccc1Br)OCCCF 34a_100000690111_100011934791 [0,2,0,0,0,0|2,0,0]=4 13437 B13R1.669 Cc1cc(ccc1Br)OCCCF 7a_100000690111_100011934791 [0,2,0,0,0,0|2,0,0]=4 13438 B13R1.669 Cc1cc(ccc1Br)OCCCO 34a_100000690111_100000230001 [0,2,0,0,0,0|2,0,0]=4 13439 B13R1.669 Cc1cc(ccc1Br)OCCCO 7a_100000690111_100011215043 [0,2,0,0,0,0|2,0,0]=4 13440 B13R1.669 Cc1cc(ccc1Br)SCCCF 62a_100009813585_100011934791 [0,2,0,0,0,0|2,0,0]=4 13441 B13R1.669 Cc1cc(ccc1Br)SCCCF 62a_100011934791_100009813585 [0,2,0,0,0,0|2,0,0]=4 13442 B13R1.669 Cc1cc(ccc1Br)SCCCO 62a_100009813585_100011215043 [0,2,0,0,0,0|2,0,0]=4 13443 B13R1.669 Cc1cc(ccc1Br)SCCCO 62a_100011215043_100009813585 [0,2,0,0,0,0|2,0,0]=4 13444 B13R1.669 Cc1cc(ccc1Cl)CNCCF 34a_100000724931_100012184735 [0,2,0,0,0,0|2,0,0]=4 13445 B13R1.669 Cc1cc(ccc1Cl)CNCCO 207a_100000210304_100000698814 [0,2,0,0,0,0|2,0,0]=4 13446 B13R1.669 Cc1cc(ccc1Cl)CNCCO 2230a_100016997473_100012184735 [0,2,0,0,0,0|2,0,0]=4 13447 B13R1.669 Cc1cc(ccc1Cl)CNCCO 270004a_100000210304_100000698814 [0,2,0,0,0,0|2,0,0]=4 13448 B13R1.669 Cc1cc(ccc1Cl)CNCCO 34a_100016990907_100012184735 [0,2,0,0,0,0|2,0,0]=4 13449 B13R1.669 Cc1cc(ccc1Cl)COCCBr 34a_100000211926_100012184735 [0,2,0,0,0,0|2,0,0]=4 13450 B13R1.669 Cc1cc(ccc1Cl)COCCN 34a_100000210304_100012184735 [0,2,0,0,0,0|1,0,0]=3 13451 B13R1.669 Cc1cc(ccc1Cl)CSCCF 62a_100011217306_100012184735 [0,2,0,0,0,0|2,0,0]=4 13452 B13R1.669 Cc1cc(ccc1Cl)CSCCF 62a_100012184735_100011217306 [0,2,0,0,0,0|2,0,0]=4 13453 B13R1.669 Cc1cc(ccc1Cl)CSCCO 62a_100000211926_100012184735 [0,2,0,0,0,0|2,0,0]=4 13454 B13R1.669 Cc1cc(ccc1Cl)CSCCO 62a_100012184735_100000211926 [0,2,0,0,0,0|2,0,0]=4 13455 B13R1.669 Cc1cc(ccc1Cl)NCCCF 2230a_100000187808_100011934791 [0,2,0,0,0,0|2,0,0]=4 13456 B13R1.669 Cc1cc(ccc1Cl)NCCCF 34a_100000187808_100011934791 [0,2,0,0,0,0|2,0,0]=4 13457 B13R1.669 Cc1cc(ccc1Cl)NCCCF 7a_100000187808_100011934791 [0,2,0,0,0,0|2,0,0]=4 13458 B13R1.669 Cc1cc(ccc1Cl)NCCCO 2230a_100000187808_100000230001 [0,2,0,0,0,0|2,0,0]=4 13459 B13R1.669 Cc1cc(ccc1Cl)NCCCO 34a_100000187808_100000230001 [0,2,0,0,0,0|2,0,0]=4 13460 B13R1.669 Cc1cc(ccc1Cl)NCCCO 7a_100000187808_100011215043 [0,2,0,0,0,0|2,0,0]=4 13461 B13R1.669 Cc1cc(ccc1Cl)OCCCF 34a_100000211092_100011934791 [0,2,0,0,0,0|2,0,0]=4 13462 B13R1.669 Cc1cc(ccc1Cl)OCCCF 7a_100000211092_100011934791 [0,2,0,0,0,0|2,0,0]=4 13463 B13R1.669 Cc1cc(ccc1Cl)OCCCO 34a_100000211092_100000230001 [0,2,0,0,0,0|2,0,0]=4 13464 B13R1.669 Cc1cc(ccc1Cl)OCCCO 7a_100000211092_100011215043 [0,2,0,0,0,0|2,0,0]=4 13465 B13R1.669 Cc1cc(ccc1Cl)SCCCF 62a_100000049509_100011934791 [0,2,0,0,0,0|2,0,0]=4 13466 B13R1.669 Cc1cc(ccc1Cl)SCCCF 62a_100011934791_100000049509 [0,2,0,0,0,0|2,0,0]=4 13467 B13R1.669 Cc1cc(ccc1Cl)SCCCO 62a_100000049509_100011215043 [0,2,0,0,0,0|2,0,0]=4 13468 B13R1.669 Cc1cc(ccc1Cl)SCCCO 62a_100011215043_100000049509 [0,2,0,0,0,0|2,0,0]=4 13469 B13R1.669 Cc1cc(ccc1F)CNCCF 2230a_100000239911_100011217306 [0,2,0,0,0,0|2,0,0]=4 13470 B13R1.669 Cc1cc(ccc1F)CNCCF 34a_100000239911_100011217306 [0,2,0,0,0,0|2,0,0]=4 13471 B13R1.669 Cc1cc(ccc1F)CNCCF 34a_100000724931_100011216667 [0,2,0,0,0,0|2,0,0]=4 13472 B13R1.669 Cc1cc(ccc1F)CNCCO 207a_100000210304_100000748208 [0,2,0,0,0,0|2,0,0]=4 13473 B13R1.669 Cc1cc(ccc1F)CNCCO 2230a_100000239911_100000211926 [0,2,0,0,0,0|2,0,0]=4 13474 B13R1.669 Cc1cc(ccc1F)CNCCO 2230a_100016997473_100011216667 [0,2,0,0,0,0|2,0,0]=4 13475 B13R1.669 Cc1cc(ccc1F)CNCCO 270004a_100000210304_100000748208 [0,2,0,0,0,0|2,0,0]=4 13476 B13R1.669 Cc1cc(ccc1F)CNCCO 34a_100000239911_100000211926 [0,2,0,0,0,0|2,0,0]=4 13477 B13R1.669 Cc1cc(ccc1F)CNCCO 34a_100016990907_100011216667 [0,2,0,0,0,0|2,0,0]=4 13478 B13R1.669 Cc1cc(ccc1F)COCCBr 34a_100000211926_100011216667 [0,2,0,0,0,0|2,0,0]=4 13479 B13R1.669 Cc1cc(ccc1F)COCCF 34a_100011219793_100011217306 [0,2,0,0,0,0|2,0,0]=4 13480 B13R1.669 Cc1cc(ccc1F)COCCF 7a_100011219793_100011217306 [0,2,0,0,0,0|2,0,0]=4 13481 B13R1.669 Cc1cc(ccc1F)COCCN 34a_100000210304_100011216667 [0,2,0,0,0,0|1,0,0]=3 13482 B13R1.669 Cc1cc(ccc1F)COCCO 34a_100011219793_100000211926 [0,2,0,0,0,0|2,0,0]=4 13483 B13R1.669 Cc1cc(ccc1F)COCCO 7a_100011219793_100000211926 [0,2,0,0,0,0|2,0,0]=4 13484 B13R1.669 Cc1cc(ccc1F)CSCCF 62a_100011216667_100011217306 [0,2,0,0,0,0|2,0,0]=4 13485 B13R1.669 Cc1cc(ccc1F)CSCCF 62a_100011217306_100011216667 [0,2,0,0,0,0|2,0,0]=4 13486 B13R1.669 Cc1cc(ccc1F)CSCCO 62a_100000211926_100011216667 [0,2,0,0,0,0|2,0,0]=4 13487 B13R1.669 Cc1cc(ccc1F)CSCCO 62a_100011216667_100000211926 [0,2,0,0,0,0|2,0,0]=4 13488 B13R1.669 Cc1cc(ccc1F)NCCCF 2230a_100000750164_100011934791 [0,2,0,0,0,0|2,0,0]=4 13489 B13R1.669 Cc1cc(ccc1F)NCCCF 34a_100000750164_100011934791 [0,2,0,0,0,0|2,0,0]=4 13490 B13R1.669 Cc1cc(ccc1F)NCCCF 7a_100000750164_100011934791 [0,2,0,0,0,0|2,0,0]=4 13491 B13R1.669 Cc1cc(ccc1F)NCCCO 2230a_100000750164_100000230001 [0,2,0,0,0,0|2,0,0]=4 13492 B13R1.669 Cc1cc(ccc1F)NCCCO 34a_100000750164_100000230001 [0,2,0,0,0,0|2,0,0]=4 13493 B13R1.669 Cc1cc(ccc1F)NCCCO 7a_100000750164_100011215043 [0,2,0,0,0,0|2,0,0]=4 13494 B13R1.669 Cc1cc(ccc1F)OCCCF 34a_100000751312_100011934791 [0,2,0,0,0,0|2,0,0]=4 13495 B13R1.669 Cc1cc(ccc1F)OCCCF 7a_100000751312_100011934791 [0,2,0,0,0,0|2,0,0]=4 13496 B13R1.669 Cc1cc(ccc1F)OCCCO 34a_100000751312_100000230001 [0,2,0,0,0,0|2,0,0]=4 13497 B13R1.669 Cc1cc(ccc1F)OCCCO 7a_100000751312_100011215043 [0,2,0,0,0,0|2,0,0]=4 13498 B13R1.669 Cc1cc(ccc1F)SCCCF 62a_100011218330_100011934791 [0,2,0,0,0,0|2,0,0]=4 13499 B13R1.669 Cc1cc(ccc1F)SCCCF 62a_100011934791_100011218330 [0,2,0,0,0,0|2,0,0]=4 13500 B13R1.669 Cc1cc(ccc1F)SCCCO 62a_100011215043_100011218330 [0,2,0,0,0,0|2,0,0]=4 13501 B13R1.669 Cc1cc(ccc1F)SCCCO 62a_100011218330_100011215043 [0,2,0,0,0,0|2,0,0]=4 13502 B13R1.669 Cc1cc(ccc1I)NCCCF 34a_100000198070_100011934791 [0,2,0,0,0,0|2,0,0]=4 13503 B13R1.669 Cc1cc(ccc1I)NCCCF 7a_100000198070_100011934791 [0,2,0,0,0,0|2,0,0]=4 13504 B13R1.669 Cc1cc(ccc1I)NCCCO 34a_100000198070_100000230001 [0,2,0,0,0,0|2,0,0]=4 13505 B13R1.669 Cc1cc(ccc1I)NCCCO 7a_100000198070_100011215043 [0,2,0,0,0,0|2,0,0]=4 13506 B13R1.669 Cc1cc(ccc1I)OCCCF 34a_100000729255_100011934791 [0,2,0,0,0,0|2,0,0]=4 13507 B13R1.669 Cc1cc(ccc1I)OCCCF 7a_100000729255_100011934791 [0,2,0,0,0,0|2,0,0]=4 13508 B13R1.669 Cc1cc(ccc1I)OCCCO 34a_100000729255_100000230001 [0,2,0,0,0,0|2,0,0]=4 13509 B13R1.669 Cc1cc(ccc1I)OCCCO 7a_100000729255_100011215043 [0,2,0,0,0,0|2,0,0]=4 13510 B13R1.669 Cc1cc(ccc1N)COCCF 34a_200011997030_100011217306 [0,2,0,0,0,0|2,0,0]=4 13511 B13R1.669 Cc1cc(ccc1N)COCCO 34a_200011997030_100000211926 [0,2,0,0,0,0|2,0,0]=4 13512 B13R1.669 Cc1cc(ccc1N)OCCCF 34a_100000756630_100011934791 [0,2,0,0,0,0|2,0,0]=4 13513 B13R1.669 Cc1cc(ccc1N)OCCCF 7a_100000756630_100011934791 [0,2,0,0,0,0|2,0,0]=4 13514 B13R1.669 Cc1cc(ccc1N)OCCCO 34a_100000756630_100000230001 [0,2,0,0,0,0|2,0,0]=4 13515 B13R1.669 Cc1cc(ccc1N)OCCCO 7a_100000756630_100011215043 [0,2,0,0,0,0|2,0,0]=4 13516 B13R1.669 Cc1cc(ccc1N)SCCCF 62a_100000211769_100011934791 [0,2,0,0,0,0|2,0,0]=4 13517 B13R1.669 Cc1cc(ccc1N)SCCCF 62a_100011934791_100000211769 [0,2,0,0,0,0|2,0,0]=4 13518 B13R1.669 Cc1cc(ccc1N)SCCCO 62a_100000211769_100011215043 [0,2,0,0,0,0|2,0,0]=4 13519 B13R1.669 Cc1cc(ccc1N)SCCCO 62a_100011215043_100000211769 [0,2,0,0,0,0|2,0,0]=4 13520 B13R1.669 Cc1cc(ccc1O)NCCCF 34a_100011218179_100011934791 [0,2,0,0,0,0|2,0,0]=4 13521 B13R1.669 Cc1cc(ccc1O)NCCCF 7a_100011218179_100011934791 [0,2,0,0,0,0|2,0,0]=4 13522 B13R1.669 Cc1cc(ccc1O)NCCCO 34a_100011218179_100000230001 [0,2,0,0,0,0|2,0,0]=4 13523 B13R1.669 Cc1cc(ccc1O)NCCCO 7a_100011218179_100011215043 [0,2,0,0,0,0|2,0,0]=4 13524 B13R1.669 Cc1cc(ccc1O)SCCCF 62a_100011934791_100000186361 [0,2,0,0,0,0|2,0,0]=4 13525 B13R1.669 Cc1cc(ccc1O)SCCCO 62a_100011215043_100000186361 [0,2,0,0,0,0|2,0,0]=4 13526 B13R1.669 Cc1ccc(cc1Br)CNCCF 34a_100000724931_100012232412 [0,2,0,0,0,0|2,0,0]=4 13527 B13R1.669 Cc1ccc(cc1Br)CNCCO 207a_100000210304_100000695567 [0,2,0,0,0,0|2,0,0]=4 13528 B13R1.669 Cc1ccc(cc1Br)CNCCO 2230a_100016997473_100012232412 [0,2,0,0,0,0|2,0,0]=4 13529 B13R1.669 Cc1ccc(cc1Br)CNCCO 270004a_100000210304_100000695567 [0,2,0,0,0,0|2,0,0]=4 13530 B13R1.669 Cc1ccc(cc1Br)CNCCO 34a_100016990907_100012232412 [0,2,0,0,0,0|2,0,0]=4 13531 B13R1.669 Cc1ccc(cc1Br)COCCBr 34a_100000211926_100012232412 [0,2,0,0,0,0|2,0,0]=4 13532 B13R1.669 Cc1ccc(cc1Br)COCCF 34a_100000708995_100011217306 [0,2,0,0,0,0|2,0,0]=4 13533 B13R1.669 Cc1ccc(cc1Br)COCCF 7a_100000708995_100011217306 [0,2,0,0,0,0|2,0,0]=4 13534 B13R1.669 Cc1ccc(cc1Br)COCCN 34a_100000210304_100012232412 [0,2,0,0,0,0|1,0,0]=3 13535 B13R1.669 Cc1ccc(cc1Br)COCCO 34a_100000708995_100000211926 [0,2,0,0,0,0|2,0,0]=4 13536 B13R1.669 Cc1ccc(cc1Br)COCCO 7a_100000708995_100000211926 [0,2,0,0,0,0|2,0,0]=4 13537 B13R1.669 Cc1ccc(cc1Br)CSCCF 62a_100011217306_100012232412 [0,2,0,0,0,0|2,0,0]=4 13538 B13R1.669 Cc1ccc(cc1Br)CSCCF 62a_100012232412_100011217306 [0,2,0,0,0,0|2,0,0]=4 13539 B13R1.669 Cc1ccc(cc1Br)CSCCO 62a_100000211926_100012232412 [0,2,0,0,0,0|2,0,0]=4 13540 B13R1.669 Cc1ccc(cc1Br)CSCCO 62a_100012232412_100000211926 [0,2,0,0,0,0|2,0,0]=4 13541 B13R1.669 Cc1ccc(cc1Br)NCCCF 2230a_100000736455_100011934791 [0,2,0,0,0,0|2,0,0]=4 13542 B13R1.669 Cc1ccc(cc1Br)NCCCF 34a_100000736455_100011934791 [0,2,0,0,0,0|2,0,0]=4 13543 B13R1.669 Cc1ccc(cc1Br)NCCCF 7a_100000736455_100011934791 [0,2,0,0,0,0|2,0,0]=4 13544 B13R1.669 Cc1ccc(cc1Br)NCCCO 2230a_100000736455_100000230001 [0,2,0,0,0,0|2,0,0]=4 13545 B13R1.669 Cc1ccc(cc1Br)NCCCO 34a_100000736455_100000230001 [0,2,0,0,0,0|2,0,0]=4 13546 B13R1.669 Cc1ccc(cc1Br)NCCCO 7a_100000736455_100011215043 [0,2,0,0,0,0|2,0,0]=4 13547 B13R1.669 Cc1ccc(cc1Br)OCCCF 34a_100011380479_100011934791 [0,2,0,0,0,0|2,0,0]=4 13548 B13R1.669 Cc1ccc(cc1Br)OCCCF 7a_100011380479_100011934791 [0,2,0,0,0,0|2,0,0]=4 13549 B13R1.669 Cc1ccc(cc1Br)OCCCO 34a_100011380479_100000230001 [0,2,0,0,0,0|2,0,0]=4 13550 B13R1.669 Cc1ccc(cc1Br)OCCCO 7a_100011380479_100011215043 [0,2,0,0,0,0|2,0,0]=4 13551 B13R1.669 Cc1ccc(cc1Br)SCCCF 62a_100011847877_100011934791 [0,2,0,0,0,0|2,0,0]=4 13552 B13R1.669 Cc1ccc(cc1Br)SCCCF 62a_100011934791_100011847877 [0,2,0,0,0,0|2,0,0]=4 13553 B13R1.669 Cc1ccc(cc1Br)SCCCO 62a_100011215043_100011847877 [0,2,0,0,0,0|2,0,0]=4 13554 B13R1.669 Cc1ccc(cc1Br)SCCCO 62a_100011847877_100011215043 [0,2,0,0,0,0|2,0,0]=4 13555 B13R1.669 Cc1ccc(cc1C)CCNCF 34a_100020591374_100015361967 [0,2,0,0,0,0|2,0,0]=4 13556 B13R1.669 Cc1ccc(cc1C)CNCCF 2230a_100025706692_100011217306 [0,2,0,0,0,0|2,0,0]=4 13557 B13R1.669 Cc1ccc(cc1C)CNCCF 34a_100000724931_100000742320 [0,2,0,0,0,0|2,0,0]=4 13558 B13R1.669 Cc1ccc(cc1C)CNCCF 34a_100025706692_100011217306 [0,2,0,0,0,0|2,0,0]=4 13559 B13R1.669 Cc1ccc(cc1C)CNCCO 207a_100000210304_100000229942 [0,2,0,0,0,0|2,0,0]=4 13560 B13R1.669 Cc1ccc(cc1C)CNCCO 2230a_100016997473_100000742320 [0,2,0,0,0,0|2,0,0]=4 13561 B13R1.669 Cc1ccc(cc1C)CNCCO 2230a_100025706692_100000211926 [0,2,0,0,0,0|2,0,0]=4 13562 B13R1.669 Cc1ccc(cc1C)CNCCO 270004a_100000210304_100000229942 [0,2,0,0,0,0|2,0,0]=4 13563 B13R1.669 Cc1ccc(cc1C)CNCCO 34a_100016990907_100000742320 [0,2,0,0,0,0|2,0,0]=4 13564 B13R1.669 Cc1ccc(cc1C)CNCCO 34a_100025706692_100000211926 [0,2,0,0,0,0|2,0,0]=4 13565 B13R1.669 Cc1ccc(cc1C)COCCBr 34a_100000211926_100000742320 [0,2,0,0,0,0|2,0,0]=4 13566 B13R1.669 Cc1ccc(cc1C)COCCF 34a_100011215342_100011217306 [0,2,0,0,0,0|2,0,0]=4 13567 B13R1.669 Cc1ccc(cc1C)COCCF 7a_100011215342_100011217306 [0,2,0,0,0,0|2,0,0]=4 13568 B13R1.669 Cc1ccc(cc1C)COCCN 34a_100000210304_100000742320 [0,2,0,0,0,0|1,0,0]=3 13569 B13R1.669 Cc1ccc(cc1C)COCCO 34a_100011215342_100000211926 [0,2,0,0,0,0|2,0,0]=4 13570 B13R1.669 Cc1ccc(cc1C)COCCO 7a_100011215342_100000211926 [0,2,0,0,0,0|2,0,0]=4 13571 B13R1.669 Cc1ccc(cc1C)CSCCF 62a_100000742320_100011217306 [0,2,0,0,0,0|2,0,0]=4 13572 B13R1.669 Cc1ccc(cc1C)CSCCF 62a_100011217306_100000742320 [0,2,0,0,0,0|2,0,0]=4 13573 B13R1.669 Cc1ccc(cc1C)CSCCO 62a_100000211926_100000742320 [0,2,0,0,0,0|2,0,0]=4 13574 B13R1.669 Cc1ccc(cc1C)CSCCO 62a_100000742320_100000211926 [0,2,0,0,0,0|2,0,0]=4 13575 B13R1.669 Cc1ccc(cc1C)NCCCF 2230a_100000724040_100011934791 [0,2,0,0,0,0|2,0,0]=4 13576 B13R1.669 Cc1ccc(cc1C)NCCCF 34a_100000724040_100011934791 [0,2,0,0,0,0|2,0,0]=4 13577 B13R1.669 Cc1ccc(cc1C)NCCCF 7a_100000724040_100011934791 [0,2,0,0,0,0|2,0,0]=4 13578 B13R1.669 Cc1ccc(cc1C)NCCCO 2230a_100000724040_100000230001 [0,2,0,0,0,0|2,0,0]=4 13579 B13R1.669 Cc1ccc(cc1C)NCCCO 34a_100000724040_100000230001 [0,2,0,0,0,0|2,0,0]=4 13580 B13R1.669 Cc1ccc(cc1C)NCCCO 7a_100000724040_100011215043 [0,2,0,0,0,0|2,0,0]=4 13581 B13R1.669 Cc1ccc(cc1C)OCCCF 34a_100000210932_100011934791 [0,2,0,0,0,0|2,0,0]=4 13582 B13R1.669 Cc1ccc(cc1C)OCCCF 7a_100000210932_100011934791 [0,2,0,0,0,0|2,0,0]=4 13583 B13R1.669 Cc1ccc(cc1C)OCCCO 34a_100000210932_100000230001 [0,2,0,0,0,0|2,0,0]=4 13584 B13R1.669 Cc1ccc(cc1C)OCCCO 7a_100000210932_100011215043 [0,2,0,0,0,0|2,0,0]=4 13585 B13R1.669 Cc1ccc(cc1C)SCCCF 62a_100011215607_100011934791 [0,2,0,0,0,0|2,0,0]=4 13586 B13R1.669 Cc1ccc(cc1C)SCCCF 62a_100011934791_100011215607 [0,2,0,0,0,0|2,0,0]=4 13587 B13R1.669 Cc1ccc(cc1C)SCCCO 62a_100011215043_100011215607 [0,2,0,0,0,0|2,0,0]=4 13588 B13R1.669 Cc1ccc(cc1C)SCCCO 62a_100011215607_100011215043 [0,2,0,0,0,0|2,0,0]=4 13589 B13R1.669 Cc1ccc(cc1Cl)CNCCF 2230a_102495364989_100011217306 [0,2,0,0,0,0|2,0,0]=4 13590 B13R1.669 Cc1ccc(cc1Cl)CNCCF 34a_100000724931_100011823929 [0,2,0,0,0,0|2,0,0]=4 13591 B13R1.669 Cc1ccc(cc1Cl)CNCCF 34a_102495364989_100011217306 [0,2,0,0,0,0|2,0,0]=4 13592 B13R1.669 Cc1ccc(cc1Cl)CNCCO 207a_100000210304_100000760539 [0,2,0,0,0,0|2,0,0]=4 13593 B13R1.669 Cc1ccc(cc1Cl)CNCCO 2230a_100016997473_100011823929 [0,2,0,0,0,0|2,0,0]=4 13594 B13R1.669 Cc1ccc(cc1Cl)CNCCO 2230a_102495364989_100000211926 [0,2,0,0,0,0|2,0,0]=4 13595 B13R1.669 Cc1ccc(cc1Cl)CNCCO 270004a_100000210304_100000760539 [0,2,0,0,0,0|2,0,0]=4 13596 B13R1.669 Cc1ccc(cc1Cl)CNCCO 34a_100016990907_100011823929 [0,2,0,0,0,0|2,0,0]=4 13597 B13R1.669 Cc1ccc(cc1Cl)CNCCO 34a_102495364989_100000211926 [0,2,0,0,0,0|2,0,0]=4 13598 B13R1.669 Cc1ccc(cc1Cl)COCCBr 34a_100000211926_100011823929 [0,2,0,0,0,0|2,0,0]=4 13599 B13R1.669 Cc1ccc(cc1Cl)COCCF 34a_100011290783_100011217306 [0,2,0,0,0,0|2,0,0]=4 13600 B13R1.669 Cc1ccc(cc1Cl)COCCF 7a_100011290783_100011217306 [0,2,0,0,0,0|2,0,0]=4 13601 B13R1.669 Cc1ccc(cc1Cl)COCCN 34a_100000210304_100011823929 [0,2,0,0,0,0|1,0,0]=3 13602 B13R1.669 Cc1ccc(cc1Cl)COCCO 34a_100011290783_100000211926 [0,2,0,0,0,0|2,0,0]=4 13603 B13R1.669 Cc1ccc(cc1Cl)COCCO 7a_100011290783_100000211926 [0,2,0,0,0,0|2,0,0]=4 13604 B13R1.669 Cc1ccc(cc1Cl)CSCCF 62a_100011217306_100011823929 [0,2,0,0,0,0|2,0,0]=4 13605 B13R1.669 Cc1ccc(cc1Cl)CSCCF 62a_100011823929_100011217306 [0,2,0,0,0,0|2,0,0]=4 13606 B13R1.669 Cc1ccc(cc1Cl)CSCCO 62a_100000211926_100011823929 [0,2,0,0,0,0|2,0,0]=4 13607 B13R1.669 Cc1ccc(cc1Cl)CSCCO 62a_100011823929_100000211926 [0,2,0,0,0,0|2,0,0]=4 13608 B13R1.669 Cc1ccc(cc1Cl)NCCCF 2230a_100000188892_100011934791 [0,2,0,0,0,0|2,0,0]=4 13609 B13R1.669 Cc1ccc(cc1Cl)NCCCF 34a_100000188892_100011934791 [0,2,0,0,0,0|2,0,0]=4 13610 B13R1.669 Cc1ccc(cc1Cl)NCCCF 7a_100000188892_100011934791 [0,2,0,0,0,0|2,0,0]=4 13611 B13R1.669 Cc1ccc(cc1Cl)NCCCO 2230a_100000188892_100000230001 [0,2,0,0,0,0|2,0,0]=4 13612 B13R1.669 Cc1ccc(cc1Cl)NCCCO 34a_100000188892_100000230001 [0,2,0,0,0,0|2,0,0]=4 13613 B13R1.669 Cc1ccc(cc1Cl)NCCCO 7a_100000188892_100011215043 [0,2,0,0,0,0|2,0,0]=4 13614 B13R1.669 Cc1ccc(cc1Cl)OCCCF 34a_100011265682_100011934791 [0,2,0,0,0,0|2,0,0]=4 13615 B13R1.669 Cc1ccc(cc1Cl)OCCCF 7a_100011265682_100011934791 [0,2,0,0,0,0|2,0,0]=4 13616 B13R1.669 Cc1ccc(cc1Cl)OCCCO 34a_100011265682_100000230001 [0,2,0,0,0,0|2,0,0]=4 13617 B13R1.669 Cc1ccc(cc1Cl)OCCCO 7a_100011265682_100011215043 [0,2,0,0,0,0|2,0,0]=4 13618 B13R1.669 Cc1ccc(cc1Cl)SCCCF 62a_100011216363_100011934791 [0,2,0,0,0,0|2,0,0]=4 13619 B13R1.669 Cc1ccc(cc1Cl)SCCCF 62a_100011934791_100011216363 [0,2,0,0,0,0|2,0,0]=4 13620 B13R1.669 Cc1ccc(cc1Cl)SCCCO 62a_100011215043_100011216363 [0,2,0,0,0,0|2,0,0]=4 13621 B13R1.669 Cc1ccc(cc1Cl)SCCCO 62a_100011216363_100011215043 [0,2,0,0,0,0|2,0,0]=4 13622 B13R1.669 Cc1ccc(cc1F)CNCCF 2230a_100102708794_100011217306 [0,2,0,0,0,0|2,0,0]=4 13623 B13R1.669 Cc1ccc(cc1F)CNCCF 34a_100000724931_100011217369 [0,2,0,0,0,0|2,0,0]=4 13624 B13R1.669 Cc1ccc(cc1F)CNCCF 34a_100102708794_100011217306 [0,2,0,0,0,0|2,0,0]=4 13625 B13R1.669 Cc1ccc(cc1F)CNCCO 207a_100000210304_100000753222 [0,2,0,0,0,0|2,0,0]=4 13626 B13R1.669 Cc1ccc(cc1F)CNCCO 2230a_100016997473_100011217369 [0,2,0,0,0,0|2,0,0]=4 13627 B13R1.669 Cc1ccc(cc1F)CNCCO 2230a_100102708794_100000211926 [0,2,0,0,0,0|2,0,0]=4 13628 B13R1.669 Cc1ccc(cc1F)CNCCO 270004a_100000210304_100000753222 [0,2,0,0,0,0|2,0,0]=4 13629 B13R1.669 Cc1ccc(cc1F)CNCCO 34a_100016990907_100011217369 [0,2,0,0,0,0|2,0,0]=4 13630 B13R1.669 Cc1ccc(cc1F)CNCCO 34a_100102708794_100000211926 [0,2,0,0,0,0|2,0,0]=4 13631 B13R1.669 Cc1ccc(cc1F)COCCBr 34a_100000211926_100011217369 [0,2,0,0,0,0|2,0,0]=4 13632 B13R1.669 Cc1ccc(cc1F)COCCF 34a_100000702247_100011217306 [0,2,0,0,0,0|2,0,0]=4 13633 B13R1.669 Cc1ccc(cc1F)COCCF 7a_100000702247_100011217306 [0,2,0,0,0,0|2,0,0]=4 13634 B13R1.669 Cc1ccc(cc1F)COCCN 34a_100000210304_100011217369 [0,2,0,0,0,0|1,0,0]=3 13635 B13R1.669 Cc1ccc(cc1F)COCCO 34a_100000702247_100000211926 [0,2,0,0,0,0|2,0,0]=4 13636 B13R1.669 Cc1ccc(cc1F)COCCO 7a_100000702247_100000211926 [0,2,0,0,0,0|2,0,0]=4 13637 B13R1.669 Cc1ccc(cc1F)CSCCF 62a_100011217306_100011217369 [0,2,0,0,0,0|2,0,0]=4 13638 B13R1.669 Cc1ccc(cc1F)CSCCF 62a_100011217369_100011217306 [0,2,0,0,0,0|2,0,0]=4 13639 B13R1.669 Cc1ccc(cc1F)CSCCO 62a_100000211926_100011217369 [0,2,0,0,0,0|2,0,0]=4 13640 B13R1.669 Cc1ccc(cc1F)CSCCO 62a_100011217369_100000211926 [0,2,0,0,0,0|2,0,0]=4 13641 B13R1.669 Cc1ccc(cc1F)NCCCF 2230a_100000210958_100011934791 [0,2,0,0,0,0|2,0,0]=4 13642 B13R1.669 Cc1ccc(cc1F)NCCCF 34a_100000210958_100011934791 [0,2,0,0,0,0|2,0,0]=4 13643 B13R1.669 Cc1ccc(cc1F)NCCCF 7a_100000210958_100011934791 [0,2,0,0,0,0|2,0,0]=4 13644 B13R1.669 Cc1ccc(cc1F)NCCCO 2230a_100000210958_100000230001 [0,2,0,0,0,0|2,0,0]=4 13645 B13R1.669 Cc1ccc(cc1F)NCCCO 34a_100000210958_100000230001 [0,2,0,0,0,0|2,0,0]=4 13646 B13R1.669 Cc1ccc(cc1F)NCCCO 7a_100000210958_100011215043 [0,2,0,0,0,0|2,0,0]=4 13647 B13R1.669 Cc1ccc(cc1F)OCCCF 34a_100000722560_100011934791 [0,2,0,0,0,0|2,0,0]=4 13648 B13R1.669 Cc1ccc(cc1F)OCCCF 7a_100000722560_100011934791 [0,2,0,0,0,0|2,0,0]=4 13649 B13R1.669 Cc1ccc(cc1F)OCCCO 34a_100000722560_100000230001 [0,2,0,0,0,0|2,0,0]=4 13650 B13R1.669 Cc1ccc(cc1F)OCCCO 7a_100000722560_100011215043 [0,2,0,0,0,0|2,0,0]=4 13651 B13R1.669 Cc1ccc(cc1F)SCCCF 62a_100000720648_100011934791 [0,2,0,0,0,0|2,0,0]=4 13652 B13R1.669 Cc1ccc(cc1F)SCCCF 62a_100011934791_100000720648 [0,2,0,0,0,0|2,0,0]=4 13653 B13R1.669 Cc1ccc(cc1F)SCCCO 62a_100000720648_100011215043 [0,2,0,0,0,0|2,0,0]=4 13654 B13R1.669 Cc1ccc(cc1F)SCCCO 62a_100011215043_100000720648 [0,2,0,0,0,0|2,0,0]=4 13655 B13R1.669 Cc1ccc(cc1I)CNCCF 34a_100000724931_100010206137 [0,2,0,0,0,0|2,0,0]=4 13656 B13R1.669 Cc1ccc(cc1I)CNCCO 207a_100000210304_100010197721 [0,2,0,0,0,0|2,0,0]=4 13657 B13R1.669 Cc1ccc(cc1I)CNCCO 2230a_100016997473_100010206137 [0,2,0,0,0,0|2,0,0]=4 13658 B13R1.669 Cc1ccc(cc1I)CNCCO 270004a_100000210304_100010197721 [0,2,0,0,0,0|2,0,0]=4 13659 B13R1.669 Cc1ccc(cc1I)CNCCO 34a_100016990907_100010206137 [0,2,0,0,0,0|2,0,0]=4 13660 B13R1.669 Cc1ccc(cc1I)COCCBr 34a_100000211926_100010206137 [0,2,0,0,0,0|2,0,0]=4 13661 B13R1.669 Cc1ccc(cc1I)COCCF 34a_100000050133_100011217306 [0,2,0,0,0,0|2,0,0]=4 13662 B13R1.669 Cc1ccc(cc1I)COCCF 7a_100000050133_100011217306 [0,2,0,0,0,0|2,0,0]=4 13663 B13R1.669 Cc1ccc(cc1I)COCCN 34a_100000210304_100010206137 [0,2,0,0,0,0|1,0,0]=3 13664 B13R1.669 Cc1ccc(cc1I)COCCO 34a_100000050133_100000211926 [0,2,0,0,0,0|2,0,0]=4 13665 B13R1.669 Cc1ccc(cc1I)COCCO 7a_100000050133_100000211926 [0,2,0,0,0,0|2,0,0]=4 13666 B13R1.669 Cc1ccc(cc1I)CSCCF 62a_100010206137_100011217306 [0,2,0,0,0,0|2,0,0]=4 13667 B13R1.669 Cc1ccc(cc1I)CSCCF 62a_100011217306_100010206137 [0,2,0,0,0,0|2,0,0]=4 13668 B13R1.669 Cc1ccc(cc1I)CSCCO 62a_100000211926_100010206137 [0,2,0,0,0,0|2,0,0]=4 13669 B13R1.669 Cc1ccc(cc1I)CSCCO 62a_100010206137_100000211926 [0,2,0,0,0,0|2,0,0]=4 13670 B13R1.669 Cc1ccc(cc1I)NCCCF 34a_100000184131_100011934791 [0,2,0,0,0,0|2,0,0]=4 13671 B13R1.669 Cc1ccc(cc1I)NCCCF 7a_100000184131_100011934791 [0,2,0,0,0,0|2,0,0]=4 13672 B13R1.669 Cc1ccc(cc1I)NCCCO 34a_100000184131_100000230001 [0,2,0,0,0,0|2,0,0]=4 13673 B13R1.669 Cc1ccc(cc1I)NCCCO 7a_100000184131_100011215043 [0,2,0,0,0,0|2,0,0]=4 13674 B13R1.669 Cc1ccc(cc1N)COCCF 34a_100000758420_100011217306 [0,2,0,0,0,0|2,0,0]=4 13675 B13R1.669 Cc1ccc(cc1N)COCCO 34a_100000758420_100000211926 [0,2,0,0,0,0|2,0,0]=4 13676 B13R1.669 Cc1ccc(cc1N)OCCCF 34a_100011216113_100011934791 [0,2,0,0,0,0|2,0,0]=4 13677 B13R1.669 Cc1ccc(cc1N)OCCCF 7a_100011216113_100011934791 [0,2,0,0,0,0|2,0,0]=4 13678 B13R1.669 Cc1ccc(cc1N)OCCCO 34a_100011216113_100000230001 [0,2,0,0,0,0|2,0,0]=4 13679 B13R1.669 Cc1ccc(cc1N)OCCCO 7a_100011216113_100011215043 [0,2,0,0,0,0|2,0,0]=4 13680 B13R1.669 Cc1ccc(cc1N)SCCCF 62a_100000761890_100011934791 [0,2,0,0,0,0|2,0,0]=4 13681 B13R1.669 Cc1ccc(cc1N)SCCCF 62a_100011934791_100000761890 [0,2,0,0,0,0|2,0,0]=4 13682 B13R1.669 Cc1ccc(cc1N)SCCCO 62a_100000761890_100011215043 [0,2,0,0,0,0|2,0,0]=4 13683 B13R1.669 Cc1ccc(cc1N)SCCCO 62a_100011215043_100000761890 [0,2,0,0,0,0|2,0,0]=4 13684 B13R1.669 Cc1ccc(cc1O)NCCCF 34a_100000759471_100011934791 [0,2,0,0,0,0|2,0,0]=4 13685 B13R1.669 Cc1ccc(cc1O)NCCCF 7a_100000759471_100011934791 [0,2,0,0,0,0|2,0,0]=4 13686 B13R1.669 Cc1ccc(cc1O)NCCCO 34a_100000759471_100000230001 [0,2,0,0,0,0|2,0,0]=4 13687 B13R1.669 Cc1ccc(cc1O)NCCCO 7a_100000759471_100011215043 [0,2,0,0,0,0|2,0,0]=4 13688 B13R1.669 Cc1ccc(cc1O)SCCCF 62a_100000685420_100011934791 [0,2,0,0,0,0|2,0,0]=4 13689 B13R1.669 Cc1ccc(cc1O)SCCCF 62a_100011934791_100000685420 [0,2,0,0,0,0|2,0,0]=4 13690 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100000685420_100011215043 [0,2,0,0,0,0|2,0,0]=4 13691 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100011215043_100000685420 [0,2,0,0,0,0|2,0,0]=4 13692 B13R1.669 Clc1cc(ccc1Br)COCCBr 34a_100000211926_100012353895 [0,2,0,0,0,0|2,0,0]=4 13693 B13R1.669 Clc1cc(ccc1I)COCCBr 34a_100000211926_100012349665 [0,2,0,0,0,0|2,0,0]=4 13694 B13R1.669 Clc1ccc(cc1Br)COCCBr 34a_100000211926_100012353894 [0,2,0,0,0,0|2,0,0]=4 13695 B13R1.669 Clc1ccc(cc1Cl)COCCBr 34a_100000211926_100000184707 [0,2,0,0,0,0|2,0,0]=4 13696 B13R1.669 FCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100011934791 [0,2,0,0,0,0|2,0,0]=4 13697 B13R1.669 FCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100011934791 [0,2,0,0,0,0|2,0,0]=4 13698 B13R1.669 FCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100011934791 [0,2,0,0,0,0|2,0,0]=4 13699 B13R1.669 FCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011934791 [0,2,0,0,0,0|2,0,0]=4 13700 B13R1.669 FCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011934791 [0,2,0,0,0,0|2,0,0]=4 13701 B13R1.669 FCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100011934791 [0,2,0,0,0,0|2,0,0]=4 13702 B13R1.669 FCCCNc1ccc(c(c1)Br)F 34a_100000760356_100011934791 [0,2,0,0,0,0|2,0,0]=4 13703 B13R1.669 FCCCNc1ccc(c(c1)Br)F 7a_100000760356_100011934791 [0,2,0,0,0,0|2,0,0]=4 13704 B13R1.669 FCCCNc1ccc(c(c1)Br)I 34a_100000750458_100011934791 [0,2,0,0,0,0|2,0,0]=4 13705 B13R1.669 FCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011934791 [0,2,0,0,0,0|2,0,0]=4 13706 B13R1.669 FCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100011934791 [0,2,0,0,0,0|2,0,0]=4 13707 B13R1.669 FCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100011934791 [0,2,0,0,0,0|2,0,0]=4 13708 B13R1.669 FCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011934791 [0,2,0,0,0,0|2,0,0]=4 13709 B13R1.669 FCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011934791 [0,2,0,0,0,0|2,0,0]=4 13710 B13R1.669 FCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100011934791 [0,2,0,0,0,0|2,0,0]=4 13711 B13R1.669 FCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100011934791 [0,2,0,0,0,0|2,0,0]=4 13712 B13R1.669 FCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100011934791 [0,2,0,0,0,0|2,0,0]=4 13713 B13R1.669 FCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100011934791 [0,2,0,0,0,0|2,0,0]=4 13714 B13R1.669 FCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100011934791 [0,2,0,0,0,0|2,0,0]=4 13715 B13R1.669 FCCCNc1ccc(c(c1)F)Br 34a_100000759894_100011934791 [0,2,0,0,0,0|2,0,0]=4 13716 B13R1.669 FCCCNc1ccc(c(c1)F)Br 7a_100000759894_100011934791 [0,2,0,0,0,0|2,0,0]=4 13717 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011934791 [0,2,0,0,0,0|2,0,0]=4 13718 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011934791 [0,2,0,0,0,0|2,0,0]=4 13719 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011934791 [0,2,0,0,0,0|2,0,0]=4 13720 B13R1.669 FCCCNc1ccc(c(c1)F)F 2230a_100000210724_100011934791 [0,2,0,0,0,0|2,0,0]=4 13721 B13R1.669 FCCCNc1ccc(c(c1)F)F 34a_100000210724_100011934791 [0,2,0,0,0,0|2,0,0]=4 13722 B13R1.669 FCCCNc1ccc(c(c1)F)F 7a_100000210724_100011934791 [0,2,0,0,0,0|2,0,0]=4 13723 B13R1.669 FCCCNc1ccc(c(c1)F)I 34a_100011356925_100011934791 [0,2,0,0,0,0|2,0,0]=4 13724 B13R1.669 FCCCNc1ccc(c(c1)F)I 7a_100011356925_100011934791 [0,2,0,0,0,0|2,0,0]=4 13725 B13R1.669 FCCCNc1ccc(c(c1)I)Br 34a_100000750459_100011934791 [0,2,0,0,0,0|2,0,0]=4 13726 B13R1.669 FCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011934791 [0,2,0,0,0,0|2,0,0]=4 13727 B13R1.669 FCCCNc1ccc(c(c1)I)F 34a_114828291077_100011934791 [0,2,0,0,0,0|2,0,0]=4 13728 B13R1.669 FCCCNc1ccc(c(c1)I)F 7a_114828291077_100011934791 [0,2,0,0,0,0|2,0,0]=4 13729 B13R1.669 FCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011934791 [0,2,0,0,0,0|2,0,0]=4 13730 B13R1.669 FCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011934791 [0,2,0,0,0,0|2,0,0]=4 13731 B13R1.669 FCCCOc1ccc(c(c1)Br)F 34a_100000693481_100011934791 [0,2,0,0,0,0|2,0,0]=4 13732 B13R1.669 FCCCOc1ccc(c(c1)Br)F 7a_100000693481_100011934791 [0,2,0,0,0,0|2,0,0]=4 13733 B13R1.669 FCCCOc1ccc(c(c1)Br)I 34a_100000701344_100011934791 [0,2,0,0,0,0|2,0,0]=4 13734 B13R1.669 FCCCOc1ccc(c(c1)Br)I 7a_100000701344_100011934791 [0,2,0,0,0,0|2,0,0]=4 13735 B13R1.669 FCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011934791 [0,2,0,0,0,0|2,0,0]=4 13736 B13R1.669 FCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011934791 [0,2,0,0,0,0|2,0,0]=4 13737 B13R1.669 FCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011934791 [0,2,0,0,0,0|2,0,0]=4 13738 B13R1.669 FCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011934791 [0,2,0,0,0,0|2,0,0]=4 13739 B13R1.669 FCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011934791 [0,2,0,0,0,0|2,0,0]=4 13740 B13R1.669 FCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011934791 [0,2,0,0,0,0|2,0,0]=4 13741 B13R1.669 FCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011934791 [0,2,0,0,0,0|2,0,0]=4 13742 B13R1.669 FCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011934791 [0,2,0,0,0,0|2,0,0]=4 13743 B13R1.669 FCCCOc1ccc(c(c1)F)Br 34a_100000755031_100011934791 [0,2,0,0,0,0|2,0,0]=4 13744 B13R1.669 FCCCOc1ccc(c(c1)F)Br 7a_100000755031_100011934791 [0,2,0,0,0,0|2,0,0]=4 13745 B13R1.669 FCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011934791 [0,2,0,0,0,0|2,0,0]=4 13746 B13R1.669 FCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011934791 [0,2,0,0,0,0|2,0,0]=4 13747 B13R1.669 FCCCOc1ccc(c(c1)F)F 34a_100000181275_100011934791 [0,2,0,0,0,0|2,0,0]=4 13748 B13R1.669 FCCCOc1ccc(c(c1)F)F 7a_100000181275_100011934791 [0,2,0,0,0,0|2,0,0]=4 13749 B13R1.669 FCCCOc1ccc(c(c1)F)I 34a_100009990212_100011934791 [0,2,0,0,0,0|2,0,0]=4 13750 B13R1.669 FCCCOc1ccc(c(c1)F)I 7a_100009990212_100011934791 [0,2,0,0,0,0|2,0,0]=4 13751 B13R1.669 FCCCOc1ccc(c(c1)I)Br 34a_100012339312_100011934791 [0,2,0,0,0,0|2,0,0]=4 13752 B13R1.669 FCCCOc1ccc(c(c1)I)Br 7a_100012339312_100011934791 [0,2,0,0,0,0|2,0,0]=4 13753 B13R1.669 FCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011934791 [0,2,0,0,0,0|2,0,0]=4 13754 B13R1.669 FCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011934791 [0,2,0,0,0,0|2,0,0]=4 13755 B13R1.669 FCCCSc1ccc(c(c1)Br)Br 62a_100011934791_100012356285 [0,2,0,0,0,0|2,0,0]=4 13756 B13R1.669 FCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100011934791 [0,2,0,0,0,0|2,0,0]=4 13757 B13R1.669 FCCCSc1ccc(c(c1)Br)Cl 62a_100011934791_100012353702 [0,2,0,0,0,0|2,0,0]=4 13758 B13R1.669 FCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011934791 [0,2,0,0,0,0|2,0,0]=4 13759 B13R1.669 FCCCSc1ccc(c(c1)Br)F 62a_100011934791_100012047266 [0,2,0,0,0,0|2,0,0]=4 13760 B13R1.669 FCCCSc1ccc(c(c1)Br)F 62a_100012047266_100011934791 [0,2,0,0,0,0|2,0,0]=4 13761 B13R1.669 FCCCSc1ccc(c(c1)Cl)Br 62a_100011934791_100012047281 [0,2,0,0,0,0|2,0,0]=4 13762 B13R1.669 FCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100011934791 [0,2,0,0,0,0|2,0,0]=4 13763 B13R1.669 FCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011934791 [0,2,0,0,0,0|2,0,0]=4 13764 B13R1.669 FCCCSc1ccc(c(c1)Cl)Cl 62a_100011934791_100011214914 [0,2,0,0,0,0|2,0,0]=4 13765 B13R1.669 FCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100011934791 [0,2,0,0,0,0|2,0,0]=4 13766 B13R1.669 FCCCSc1ccc(c(c1)Cl)F 62a_100011934791_100011215976 [0,2,0,0,0,0|2,0,0]=4 13767 B13R1.669 FCCCSc1ccc(c(c1)F)Br 62a_100000685389_100011934791 [0,2,0,0,0,0|2,0,0]=4 13768 B13R1.669 FCCCSc1ccc(c(c1)F)Br 62a_100011934791_100000685389 [0,2,0,0,0,0|2,0,0]=4 13769 B13R1.669 FCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011934791 [0,2,0,0,0,0|2,0,0]=4 13770 B13R1.669 FCCCSc1ccc(c(c1)F)Cl 62a_100011934791_100011216805 [0,2,0,0,0,0|2,0,0]=4 13771 B13R1.669 FCCCSc1ccc(c(c1)F)F 62a_100000703953_100011934791 [0,2,0,0,0,0|2,0,0]=4 13772 B13R1.669 FCCCSc1ccc(c(c1)F)F 62a_100011934791_100000703953 [0,2,0,0,0,0|2,0,0]=4 13773 B13R1.669 FCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100011217306 [0,2,0,0,0,0|2,0,0]=4 13774 B13R1.669 FCCNCc1ccc(c(c1)Br)Br 34a_100000724931_100012353900 [0,2,0,0,0,0|2,0,0]=4 13775 B13R1.669 FCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100011217306 [0,2,0,0,0,0|2,0,0]=4 13776 B13R1.669 FCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100011217306 [0,2,0,0,0,0|2,0,0]=4 13777 B13R1.669 FCCNCc1ccc(c(c1)Br)Cl 34a_100000724931_100012353894 [0,2,0,0,0,0|2,0,0]=4 13778 B13R1.669 FCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100011217306 [0,2,0,0,0,0|2,0,0]=4 13779 B13R1.669 FCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100011217306 [0,2,0,0,0,0|2,0,0]=4 13780 B13R1.669 FCCNCc1ccc(c(c1)Br)F 34a_100000724931_100011206884 [0,2,0,0,0,0|2,0,0]=4 13781 B13R1.669 FCCNCc1ccc(c(c1)Br)F 34a_100015193890_100011217306 [0,2,0,0,0,0|2,0,0]=4 13782 B13R1.669 FCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100011217306 [0,2,0,0,0,0|2,0,0]=4 13783 B13R1.669 FCCNCc1ccc(c(c1)Cl)Br 34a_100000724931_100012353895 [0,2,0,0,0,0|2,0,0]=4 13784 B13R1.669 FCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100011217306 [0,2,0,0,0,0|2,0,0]=4 13785 B13R1.669 FCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100011217306 [0,2,0,0,0,0|2,0,0]=4 13786 B13R1.669 FCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100011217306 [0,2,0,0,0,0|2,0,0]=4 13787 B13R1.669 FCCNCc1ccc(c(c1)Cl)Cl 34a_100000724931_100000184707 [0,2,0,0,0,0|2,0,0]=4 13788 B13R1.669 FCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100011217306 [0,2,0,0,0,0|2,0,0]=4 13789 B13R1.669 FCCNCc1ccc(c(c1)Cl)F 34a_100000724931_100011934319 [0,2,0,0,0,0|2,0,0]=4 13790 B13R1.669 FCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100011217306 [0,2,0,0,0,0|2,0,0]=4 13791 B13R1.669 FCCNCc1ccc(c(c1)Cl)I 34a_100000724931_100012349665 [0,2,0,0,0,0|2,0,0]=4 13792 B13R1.669 FCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100011217306 [0,2,0,0,0,0|2,0,0]=4 13793 B13R1.669 FCCNCc1ccc(c(c1)F)Br 34a_100000724931_100000767054 [0,2,0,0,0,0|2,0,0]=4 13794 B13R1.669 FCCNCc1ccc(c(c1)F)Br 34a_100000755036_100011217306 [0,2,0,0,0,0|2,0,0]=4 13795 B13R1.669 FCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100011217306 [0,2,0,0,0,0|2,0,0]=4 13796 B13R1.669 FCCNCc1ccc(c(c1)F)Cl 34a_100000724931_100011519011 [0,2,0,0,0,0|2,0,0]=4 13797 B13R1.669 FCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100011217306 [0,2,0,0,0,0|2,0,0]=4 13798 B13R1.669 FCCNCc1ccc(c(c1)F)F 2230a_100000737897_100011217306 [0,2,0,0,0,0|2,0,0]=4 13799 B13R1.669 FCCNCc1ccc(c(c1)F)F 34a_100000724931_100000757363 [0,2,0,0,0,0|2,0,0]=4 13800 B13R1.669 FCCNCc1ccc(c(c1)F)F 34a_100000737897_100011217306 [0,2,0,0,0,0|2,0,0]=4 13801 B13R1.669 FCCNCc1ccc(c(c1)F)I 34a_100000724931_100010149604 [0,2,0,0,0,0|2,0,0]=4 13802 B13R1.669 FCCNCc1ccc(c(c1)I)Br 34a_100000724931_100010146616 [0,2,0,0,0,0|2,0,0]=4 13803 B13R1.669 FCCNCc1ccc(c(c1)I)F 34a_100000724931_100010188208 [0,2,0,0,0,0|2,0,0]=4 13804 B13R1.669 FCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100011217306 [0,2,0,0,0,0|2,0,0]=4 13805 B13R1.669 FCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100011217306 [0,2,0,0,0,0|2,0,0]=4 13806 B13R1.669 FCCOCc1ccc(c(c1)Br)F 34a_100000246287_100011217306 [0,2,0,0,0,0|2,0,0]=4 13807 B13R1.669 FCCOCc1ccc(c(c1)Br)F 7a_100000246287_100011217306 [0,2,0,0,0,0|2,0,0]=4 13808 B13R1.669 FCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100011217306 [0,2,0,0,0,0|2,0,0]=4 13809 B13R1.669 FCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100011217306 [0,2,0,0,0,0|2,0,0]=4 13810 B13R1.669 FCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100011217306 [0,2,0,0,0,0|2,0,0]=4 13811 B13R1.669 FCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100011217306 [0,2,0,0,0,0|2,0,0]=4 13812 B13R1.669 FCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100011217306 [0,2,0,0,0,0|2,0,0]=4 13813 B13R1.669 FCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100011217306 [0,2,0,0,0,0|2,0,0]=4 13814 B13R1.669 FCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100011217306 [0,2,0,0,0,0|2,0,0]=4 13815 B13R1.669 FCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100011217306 [0,2,0,0,0,0|2,0,0]=4 13816 B13R1.669 FCCOCc1ccc(c(c1)F)Br 34a_100011533735_100011217306 [0,2,0,0,0,0|2,0,0]=4 13817 B13R1.669 FCCOCc1ccc(c(c1)F)Br 7a_100011533735_100011217306 [0,2,0,0,0,0|2,0,0]=4 13818 B13R1.669 FCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100011217306 [0,2,0,0,0,0|2,0,0]=4 13819 B13R1.669 FCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100011217306 [0,2,0,0,0,0|2,0,0]=4 13820 B13R1.669 FCCOCc1ccc(c(c1)F)F 34a_100011215442_100011217306 [0,2,0,0,0,0|2,0,0]=4 13821 B13R1.669 FCCOCc1ccc(c(c1)F)F 7a_100011215442_100011217306 [0,2,0,0,0,0|2,0,0]=4 13822 B13R1.669 FCCOCc1ccc(c(c1)F)I 34a_100010149597_100011217306 [0,2,0,0,0,0|2,0,0]=4 13823 B13R1.669 FCCOCc1ccc(c(c1)F)I 7a_100010149597_100011217306 [0,2,0,0,0,0|2,0,0]=4 13824 B13R1.669 FCCOCc1ccc(c(c1)I)F 34a_100000049585_100011217306 [0,2,0,0,0,0|2,0,0]=4 13825 B13R1.669 FCCOCc1ccc(c(c1)I)F 7a_100000049585_100011217306 [0,2,0,0,0,0|2,0,0]=4 13826 B13R1.669 FCCSCc1ccc(c(c1)Br)Br 62a_100011217306_100012353900 [0,2,0,0,0,0|2,0,0]=4 13827 B13R1.669 FCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100011217306 [0,2,0,0,0,0|2,0,0]=4 13828 B13R1.669 FCCSCc1ccc(c(c1)Br)Cl 62a_100011217306_100012353894 [0,2,0,0,0,0|2,0,0]=4 13829 B13R1.669 FCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100011217306 [0,2,0,0,0,0|2,0,0]=4 13830 B13R1.669 FCCSCc1ccc(c(c1)Br)F 62a_100011206884_100011217306 [0,2,0,0,0,0|2,0,0]=4 13831 B13R1.669 FCCSCc1ccc(c(c1)Br)F 62a_100011217306_100011206884 [0,2,0,0,0,0|2,0,0]=4 13832 B13R1.669 FCCSCc1ccc(c(c1)Cl)Br 62a_100011217306_100012353895 [0,2,0,0,0,0|2,0,0]=4 13833 B13R1.669 FCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100011217306 [0,2,0,0,0,0|2,0,0]=4 13834 B13R1.669 FCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100011217306 [0,2,0,0,0,0|2,0,0]=4 13835 B13R1.669 FCCSCc1ccc(c(c1)Cl)Cl 62a_100011217306_100000184707 [0,2,0,0,0,0|2,0,0]=4 13836 B13R1.669 FCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100011217306 [0,2,0,0,0,0|2,0,0]=4 13837 B13R1.669 FCCSCc1ccc(c(c1)Cl)F 62a_100011217306_100011934319 [0,2,0,0,0,0|2,0,0]=4 13838 B13R1.669 FCCSCc1ccc(c(c1)Cl)I 62a_100011217306_100012349665 [0,2,0,0,0,0|2,0,0]=4 13839 B13R1.669 FCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100011217306 [0,2,0,0,0,0|2,0,0]=4 13840 B13R1.669 FCCSCc1ccc(c(c1)F)Br 62a_100000767054_100011217306 [0,2,0,0,0,0|2,0,0]=4 13841 B13R1.669 FCCSCc1ccc(c(c1)F)Br 62a_100011217306_100000767054 [0,2,0,0,0,0|2,0,0]=4 13842 B13R1.669 FCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100011217306 [0,2,0,0,0,0|2,0,0]=4 13843 B13R1.669 FCCSCc1ccc(c(c1)F)Cl 62a_100011217306_100000716492 [0,2,0,0,0,0|2,0,0]=4 13844 B13R1.669 FCCSCc1ccc(c(c1)F)F 62a_100000757363_100011217306 [0,2,0,0,0,0|2,0,0]=4 13845 B13R1.669 FCCSCc1ccc(c(c1)F)F 62a_100011217306_100000757363 [0,2,0,0,0,0|2,0,0]=4 13846 B13R1.669 FCCSCc1ccc(c(c1)F)I 62a_100010149604_100011217306 [0,2,0,0,0,0|2,0,0]=4 13847 B13R1.669 FCCSCc1ccc(c(c1)F)I 62a_100011217306_100010149604 [0,2,0,0,0,0|2,0,0]=4 13848 B13R1.669 FCCSCc1ccc(c(c1)I)Br 62a_100010146616_100011217306 [0,2,0,0,0,0|2,0,0]=4 13849 B13R1.669 FCCSCc1ccc(c(c1)I)Br 62a_100011217306_100010146616 [0,2,0,0,0,0|2,0,0]=4 13850 B13R1.669 FCCSCc1ccc(c(c1)I)F 62a_100010188208_100011217306 [0,2,0,0,0,0|2,0,0]=4 13851 B13R1.669 FCCSCc1ccc(c(c1)I)F 62a_100011217306_100010188208 [0,2,0,0,0,0|2,0,0]=4 13852 B13R1.669 FCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100015361967 [0,2,0,0,0,0|2,0,0]=4 13853 B13R1.669 FCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100015361967 [0,2,0,0,0,0|2,0,0]=4 13854 B13R1.669 FCNCCc1ccc(c(c1)F)F 34a_200000706328_100015361967 [0,2,0,0,0,0|2,0,0]=4 13855 B13R1.669 FCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100015361967 [0,2,0,0,0,0|2,0,0]=4 13856 B13R1.669 FCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100015361967 [0,2,0,0,0,0|2,0,0]=4 13857 B13R1.669 FCOCCc1ccc(c(c1)Cl)F 34a_100011830478_100015361967 [0,2,0,0,0,0|2,0,0]=4 13858 B13R1.669 FCOCCc1ccc(c(c1)Cl)F 7a_100011830478_100015361967 [0,2,0,0,0,0|2,0,0]=4 13859 B13R1.669 FCOCCc1ccc(c(c1)F)Br 34a_100012921202_100015361967 [0,2,0,0,0,0|2,0,0]=4 13860 B13R1.669 FCOCCc1ccc(c(c1)F)Br 7a_100012921202_100015361967 [0,2,0,0,0,0|2,0,0]=4 13861 B13R1.669 FCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100015361967 [0,2,0,0,0,0|2,0,0]=4 13862 B13R1.669 FCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100015361967 [0,2,0,0,0,0|2,0,0]=4 13863 B13R1.669 FCOCCc1ccc(c(c1)F)F 34a_100000690376_100015361967 [0,2,0,0,0,0|2,0,0]=4 13864 B13R1.669 FCOCCc1ccc(c(c1)F)F 7a_100000690376_100015361967 [0,2,0,0,0,0|2,0,0]=4 13865 B13R1.669 FCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100015361967 [0,2,0,0,0,0|2,0,0]=4 13866 B13R1.669 FCSCCc1ccc(c(c1)Cl)Cl 62a_100015361967_100011713676 [0,2,0,0,0,0|2,0,0]=4 13867 B13R1.669 FCSCCc1ccc(c(c1)Cl)F 62a_100012361305_100015361967 [0,2,0,0,0,0|2,0,0]=4 13868 B13R1.669 FCSCCc1ccc(c(c1)Cl)F 62a_100015361967_100012361305 [0,2,0,0,0,0|2,0,0]=4 13869 B13R1.669 FCSCCc1ccc(c(c1)F)F 62a_100000690553_100015361967 [0,2,0,0,0,0|2,0,0]=4 13870 B13R1.669 FCSCCc1ccc(c(c1)F)F 62a_100015361967_100000690553 [0,2,0,0,0,0|2,0,0]=4 13871 B13R1.669 Fc1cc(ccc1Br)COCCBr 34a_100000211926_100000767054 [0,2,0,0,0,0|2,0,0]=4 13872 B13R1.669 Fc1cc(ccc1Cl)COCCBr 34a_100000211926_100011519011 [0,2,0,0,0,0|2,0,0]=4 13873 B13R1.669 Fc1cc(ccc1I)COCCBr 34a_100000211926_100010149604 [0,2,0,0,0,0|2,0,0]=4 13874 B13R1.669 Fc1ccc(cc1Br)COCCBr 34a_100000211926_100011206884 [0,2,0,0,0,0|2,0,0]=4 13875 B13R1.669 Fc1ccc(cc1Cl)COCCBr 34a_100000211926_100011934319 [0,2,0,0,0,0|2,0,0]=4 13876 B13R1.669 Fc1ccc(cc1F)COCCBr 34a_100000211926_100000757363 [0,2,0,0,0,0|2,0,0]=4 13877 B13R1.669 Fc1ccc(cc1I)COCCBr 34a_100000211926_100010188208 [0,2,0,0,0,0|2,0,0]=4 13878 B13R1.669 NCCOCc1ccc(c(c1)Br)Br 34a_100000210304_100012353900 [0,2,0,0,0,0|1,0,0]=3 13879 B13R1.669 NCCOCc1ccc(c(c1)Br)Cl 34a_100000210304_100012353894 [0,2,0,0,0,0|1,0,0]=3 13880 B13R1.669 NCCOCc1ccc(c(c1)Br)F 34a_100000210304_100011206884 [0,2,0,0,0,0|1,0,0]=3 13881 B13R1.669 NCCOCc1ccc(c(c1)Cl)Br 34a_100000210304_100012353895 [0,2,0,0,0,0|1,0,0]=3 13882 B13R1.669 NCCOCc1ccc(c(c1)Cl)Cl 34a_100000210304_100000184707 [0,2,0,0,0,0|1,0,0]=3 13883 B13R1.669 NCCOCc1ccc(c(c1)Cl)F 34a_100000210304_100011934319 [0,2,0,0,0,0|1,0,0]=3 13884 B13R1.669 NCCOCc1ccc(c(c1)Cl)I 34a_100000210304_100012349665 [0,2,0,0,0,0|1,0,0]=3 13885 B13R1.669 NCCOCc1ccc(c(c1)F)Br 34a_100000210304_100000767054 [0,2,0,0,0,0|1,0,0]=3 13886 B13R1.669 NCCOCc1ccc(c(c1)F)Cl 34a_100000210304_100011519011 [0,2,0,0,0,0|1,0,0]=3 13887 B13R1.669 NCCOCc1ccc(c(c1)F)F 34a_100000210304_100000757363 [0,2,0,0,0,0|1,0,0]=3 13888 B13R1.669 NCCOCc1ccc(c(c1)F)I 34a_100000210304_100010149604 [0,2,0,0,0,0|1,0,0]=3 13889 B13R1.669 NCCOCc1ccc(c(c1)I)Br 34a_100000210304_100010146616 [0,2,0,0,0,0|1,0,0]=3 13890 B13R1.669 NCCOCc1ccc(c(c1)I)F 34a_100000210304_100010188208 [0,2,0,0,0,0|1,0,0]=3 13891 B13R1.669 NCCOCc1cnc(c(c1)Br)F 34a_100000210304_200010066439 [0,2,0,0,0,0|2,0,0]=4 13892 B13R1.669 NCCOCc1cnc(c(c1)Cl)Cl 34a_100000210304_100009843750 [0,2,0,0,0,0|2,0,0]=4 13893 B13R1.669 NCCOCc1cnc(c(c1)I)Cl 34a_100000210304_100011072623 [0,2,0,0,0,0|2,0,0]=4 13894 B13R1.669 Nc1cc(ccc1Br)COCCF 34a_100012347568_100011217306 [0,2,0,0,0,0|2,0,0]=4 13895 B13R1.669 Nc1cc(ccc1Br)COCCO 34a_100012347568_100000211926 [0,2,0,0,0,0|2,0,0]=4 13896 B13R1.669 Nc1cc(ccc1Br)OCCCF 34a_100011999798_100011934791 [0,2,0,0,0,0|2,0,0]=4 13897 B13R1.669 Nc1cc(ccc1Br)OCCCF 7a_100011999798_100011934791 [0,2,0,0,0,0|2,0,0]=4 13898 B13R1.669 Nc1cc(ccc1Br)OCCCO 34a_100011999798_100000230001 [0,2,0,0,0,0|2,0,0]=4 13899 B13R1.669 Nc1cc(ccc1Br)OCCCO 7a_100011999798_100011215043 [0,2,0,0,0,0|2,0,0]=4 13900 B13R1.669 Nc1cc(ccc1Br)SCCCF 62a_100000750456_100011934791 [0,2,0,0,0,0|2,0,0]=4 13901 B13R1.669 Nc1cc(ccc1Br)SCCCF 62a_100011934791_100000750456 [0,2,0,0,0,0|2,0,0]=4 13902 B13R1.669 Nc1cc(ccc1Br)SCCCO 62a_100000750456_100011215043 [0,2,0,0,0,0|2,0,0]=4 13903 B13R1.669 Nc1cc(ccc1Br)SCCCO 62a_100011215043_100000750456 [0,2,0,0,0,0|2,0,0]=4 13904 B13R1.669 Nc1cc(ccc1Cl)COCCF 34a_106256033963_100011217306 [0,2,0,0,0,0|2,0,0]=4 13905 B13R1.669 Nc1cc(ccc1Cl)COCCO 34a_106256033963_100000211926 [0,2,0,0,0,0|2,0,0]=4 13906 B13R1.669 Nc1cc(ccc1Cl)OCCCF 34a_100011934297_100011934791 [0,2,0,0,0,0|2,0,0]=4 13907 B13R1.669 Nc1cc(ccc1Cl)OCCCO 34a_100011934297_100000230001 [0,2,0,0,0,0|2,0,0]=4 13908 B13R1.669 Nc1cc(ccc1Cl)SCCCF 62a_100011934791_200000761891 [0,2,0,0,0,0|2,0,0]=4 13909 B13R1.669 Nc1cc(ccc1Cl)SCCCF 62a_200000761891_100011934791 [0,2,0,0,0,0|2,0,0]=4 13910 B13R1.669 Nc1cc(ccc1Cl)SCCCO 62a_100011215043_200000761891 [0,2,0,0,0,0|2,0,0]=4 13911 B13R1.669 Nc1cc(ccc1Cl)SCCCO 62a_200000761891_100011215043 [0,2,0,0,0,0|2,0,0]=4 13912 B13R1.669 Nc1cc(ccc1F)COCCF 34a_102125399562_100011217306 [0,2,0,0,0,0|2,0,0]=4 13913 B13R1.669 Nc1cc(ccc1F)COCCO 34a_102125399562_100000211926 [0,2,0,0,0,0|2,0,0]=4 13914 B13R1.669 Nc1cc(ccc1F)OCCCF 34a_100012017239_100011934791 [0,2,0,0,0,0|2,0,0]=4 13915 B13R1.669 Nc1cc(ccc1F)OCCCF 7a_100012017239_100011934791 [0,2,0,0,0,0|2,0,0]=4 13916 B13R1.669 Nc1cc(ccc1F)OCCCO 34a_100012017239_100000230001 [0,2,0,0,0,0|2,0,0]=4 13917 B13R1.669 Nc1cc(ccc1F)OCCCO 7a_100012017239_100011215043 [0,2,0,0,0,0|2,0,0]=4 13918 B13R1.669 Nc1cc(ccc1F)SCCCF 62a_100000740924_100011934791 [0,2,0,0,0,0|2,0,0]=4 13919 B13R1.669 Nc1cc(ccc1F)SCCCF 62a_100011934791_100000740924 [0,2,0,0,0,0|2,0,0]=4 13920 B13R1.669 Nc1cc(ccc1F)SCCCO 62a_100000740924_100011215043 [0,2,0,0,0,0|2,0,0]=4 13921 B13R1.669 Nc1cc(ccc1F)SCCCO 62a_100011215043_100000740924 [0,2,0,0,0,0|2,0,0]=4 13922 B13R1.669 Nc1cc(ccc1O)SCCCF 62a_100000752626_100011934791 [0,2,0,0,0,0|2,0,0]=4 13923 B13R1.669 Nc1cc(ccc1O)SCCCF 62a_100011934791_100000752626 [0,2,0,0,0,0|2,0,0]=4 13924 B13R1.669 Nc1cc(ccc1O)SCCCO 62a_100000752626_100011215043 [0,2,0,0,0,0|2,0,0]=4 13925 B13R1.669 Nc1cc(ccc1O)SCCCO 62a_100011215043_100000752626 [0,2,0,0,0,0|2,0,0]=4 13926 B13R1.669 Nc1ccc(cc1Br)OCCCF 34a_100012001276_100011934791 [0,2,0,0,0,0|2,0,0]=4 13927 B13R1.669 Nc1ccc(cc1Br)OCCCF 7a_100012001276_100011934791 [0,2,0,0,0,0|2,0,0]=4 13928 B13R1.669 Nc1ccc(cc1Br)OCCCO 34a_100012001276_100000230001 [0,2,0,0,0,0|2,0,0]=4 13929 B13R1.669 Nc1ccc(cc1Br)OCCCO 7a_100012001276_100011215043 [0,2,0,0,0,0|2,0,0]=4 13930 B13R1.669 Nc1ccc(cc1Br)SCCCF 62a_100000750455_100011934791 [0,2,0,0,0,0|2,0,0]=4 13931 B13R1.669 Nc1ccc(cc1Br)SCCCF 62a_100011934791_100000750455 [0,2,0,0,0,0|2,0,0]=4 13932 B13R1.669 Nc1ccc(cc1Br)SCCCO 62a_100000750455_100011215043 [0,2,0,0,0,0|2,0,0]=4 13933 B13R1.669 Nc1ccc(cc1Br)SCCCO 62a_100011215043_100000750455 [0,2,0,0,0,0|2,0,0]=4 13934 B13R1.669 Nc1ccc(cc1Cl)OCCCF 34a_100011215599_100011934791 [0,2,0,0,0,0|2,0,0]=4 13935 B13R1.669 Nc1ccc(cc1Cl)OCCCF 7a_100011215599_100011934791 [0,2,0,0,0,0|2,0,0]=4 13936 B13R1.669 Nc1ccc(cc1Cl)OCCCO 34a_100011215599_100000230001 [0,2,0,0,0,0|2,0,0]=4 13937 B13R1.669 Nc1ccc(cc1Cl)OCCCO 7a_100011215599_100011215043 [0,2,0,0,0,0|2,0,0]=4 13938 B13R1.669 Nc1ccc(cc1Cl)SCCCF 62a_100011218065_100011934791 [0,2,0,0,0,0|2,0,0]=4 13939 B13R1.669 Nc1ccc(cc1Cl)SCCCF 62a_100011934791_100011218065 [0,2,0,0,0,0|2,0,0]=4 13940 B13R1.669 Nc1ccc(cc1Cl)SCCCO 62a_100011215043_100011218065 [0,2,0,0,0,0|2,0,0]=4 13941 B13R1.669 Nc1ccc(cc1Cl)SCCCO 62a_100011218065_100011215043 [0,2,0,0,0,0|2,0,0]=4 13942 B13R1.669 Nc1ccc(cc1F)COCCF 34a_100011217239_100011217306 [0,2,0,0,0,0|2,0,0]=4 13943 B13R1.669 Nc1ccc(cc1F)COCCO 34a_100011217239_100000211926 [0,2,0,0,0,0|2,0,0]=4 13944 B13R1.669 Nc1ccc(cc1F)OCCCF 34a_100000759473_100011934791 [0,2,0,0,0,0|2,0,0]=4 13945 B13R1.669 Nc1ccc(cc1F)OCCCF 7a_100000759473_100011934791 [0,2,0,0,0,0|2,0,0]=4 13946 B13R1.669 Nc1ccc(cc1F)OCCCO 34a_100000759473_100000230001 [0,2,0,0,0,0|2,0,0]=4 13947 B13R1.669 Nc1ccc(cc1F)OCCCO 7a_100000759473_100011215043 [0,2,0,0,0,0|2,0,0]=4 13948 B13R1.669 Nc1ccc(cc1F)SCCCF 62a_100011215594_100011934791 [0,2,0,0,0,0|2,0,0]=4 13949 B13R1.669 Nc1ccc(cc1F)SCCCF 62a_100011934791_100011215594 [0,2,0,0,0,0|2,0,0]=4 13950 B13R1.669 Nc1ccc(cc1F)SCCCO 62a_100011215043_100011215594 [0,2,0,0,0,0|2,0,0]=4 13951 B13R1.669 Nc1ccc(cc1F)SCCCO 62a_100011215594_100011215043 [0,2,0,0,0,0|2,0,0]=4 13952 B13R1.669 Nc1ccc(cc1I)OCCCF 34a_100010084370_100011934791 [0,2,0,0,0,0|2,0,0]=4 13953 B13R1.669 Nc1ccc(cc1I)OCCCF 7a_100010084370_100011934791 [0,2,0,0,0,0|2,0,0]=4 13954 B13R1.669 Nc1ccc(cc1I)OCCCO 34a_100010084370_100000230001 [0,2,0,0,0,0|2,0,0]=4 13955 B13R1.669 Nc1ccc(cc1I)OCCCO 7a_100010084370_100011215043 [0,2,0,0,0,0|2,0,0]=4 13956 B13R1.669 Nc1ccc(cc1N)OCCCF 34a_100025771000_100011934791 [0,2,0,0,0,0|2,0,0]=4 13957 B13R1.669 Nc1ccc(cc1N)OCCCO 34a_100025771000_100000230001 [0,2,0,0,0,0|2,0,0]=4 13958 B13R1.669 Nc1ccc(cc1N)SCCCF 62a_100000741789_100011934791 [0,2,0,0,0,0|2,0,0]=4 13959 B13R1.669 Nc1ccc(cc1N)SCCCF 62a_100011934791_100011534411 [0,2,0,0,0,0|2,0,0]=4 13960 B13R1.669 Nc1ccc(cc1N)SCCCO 62a_100000741789_100011215043 [0,2,0,0,0,0|2,0,0]=4 13961 B13R1.669 Nc1ccc(cc1N)SCCCO 62a_100011215043_100011534411 [0,2,0,0,0,0|2,0,0]=4 13962 B13R1.669 Nc1ccc(cc1O)SCCCF 62a_100000739049_100011934791 [0,2,0,0,0,0|2,0,0]=4 13963 B13R1.669 Nc1ccc(cc1O)SCCCF 62a_100011934791_100000739049 [0,2,0,0,0,0|2,0,0]=4 13964 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100000739049_100011215043 [0,2,0,0,0,0|2,0,0]=4 13965 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100011215043_100000739049 [0,2,0,0,0,0|2,0,0]=4 13966 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000230001 [0,2,0,0,0,0|2,0,0]=4 13967 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000230001 [0,2,0,0,0,0|2,0,0]=4 13968 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100011215043 [0,2,0,0,0,0|2,0,0]=4 13969 B13R1.669 OCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000230001 [0,2,0,0,0,0|2,0,0]=4 13970 B13R1.669 OCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000230001 [0,2,0,0,0,0|2,0,0]=4 13971 B13R1.669 OCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000230001 [0,2,0,0,0,0|2,0,0]=4 13972 B13R1.669 OCCCNc1ccc(c(c1)Br)F 34a_100000760356_100000230001 [0,2,0,0,0,0|2,0,0]=4 13973 B13R1.669 OCCCNc1ccc(c(c1)Br)F 7a_100000760356_100011215043 [0,2,0,0,0,0|2,0,0]=4 13974 B13R1.669 OCCCNc1ccc(c(c1)Br)I 34a_100000750458_100000230001 [0,2,0,0,0,0|2,0,0]=4 13975 B13R1.669 OCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000230001 [0,2,0,0,0,0|2,0,0]=4 13976 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000230001 [0,2,0,0,0,0|2,0,0]=4 13977 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000230001 [0,2,0,0,0,0|2,0,0]=4 13978 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100011215043 [0,2,0,0,0,0|2,0,0]=4 13979 B13R1.669 OCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000230001 [0,2,0,0,0,0|2,0,0]=4 13980 B13R1.669 OCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000230001 [0,2,0,0,0,0|2,0,0]=4 13981 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000230001 [0,2,0,0,0,0|2,0,0]=4 13982 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000230001 [0,2,0,0,0,0|2,0,0]=4 13983 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100011215043 [0,2,0,0,0,0|2,0,0]=4 13984 B13R1.669 OCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000230001 [0,2,0,0,0,0|2,0,0]=4 13985 B13R1.669 OCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000230001 [0,2,0,0,0,0|2,0,0]=4 13986 B13R1.669 OCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000230001 [0,2,0,0,0,0|2,0,0]=4 13987 B13R1.669 OCCCNc1ccc(c(c1)F)Br 34a_100000759894_100000230001 [0,2,0,0,0,0|2,0,0]=4 13988 B13R1.669 OCCCNc1ccc(c(c1)F)Br 7a_100000759894_100011215043 [0,2,0,0,0,0|2,0,0]=4 13989 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000230001 [0,2,0,0,0,0|2,0,0]=4 13990 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000230001 [0,2,0,0,0,0|2,0,0]=4 13991 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011215043 [0,2,0,0,0,0|2,0,0]=4 13992 B13R1.669 OCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000230001 [0,2,0,0,0,0|2,0,0]=4 13993 B13R1.669 OCCCNc1ccc(c(c1)F)F 34a_100000210724_100000230001 [0,2,0,0,0,0|2,0,0]=4 13994 B13R1.669 OCCCNc1ccc(c(c1)F)F 7a_100000210724_100011215043 [0,2,0,0,0,0|2,0,0]=4 13995 B13R1.669 OCCCNc1ccc(c(c1)F)I 34a_100011356925_100000230001 [0,2,0,0,0,0|2,0,0]=4 13996 B13R1.669 OCCCNc1ccc(c(c1)F)I 7a_100011356925_100011215043 [0,2,0,0,0,0|2,0,0]=4 13997 B13R1.669 OCCCNc1ccc(c(c1)F)O 34a_100011220035_100000230001 [0,2,0,0,0,0|2,0,0]=4 13998 B13R1.669 OCCCNc1ccc(c(c1)F)O 7a_100011220035_100011215043 [0,2,0,0,0,0|2,0,0]=4 13999 B13R1.669 OCCCNc1ccc(c(c1)I)Br 34a_100000750459_100000230001 [0,2,0,0,0,0|2,0,0]=4 14000 B13R1.669 OCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000230001 [0,2,0,0,0,0|2,0,0]=4 14001 B13R1.669 OCCCNc1ccc(c(c1)I)F 34a_114828291077_100000230001 [0,2,0,0,0,0|2,0,0]=4 14002 B13R1.669 OCCCNc1ccc(c(c1)I)F 7a_114828291077_100011215043 [0,2,0,0,0,0|2,0,0]=4 14003 B13R1.669 OCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000230001 [0,2,0,0,0,0|2,0,0]=4 14004 B13R1.669 OCCCNc1ccc(c(c1)O)F 34a_100012017398_100000230001 [0,2,0,0,0,0|2,0,0]=4 14005 B13R1.669 OCCCNc1ccc(c(c1)O)F 7a_100012017398_100011215043 [0,2,0,0,0,0|2,0,0]=4 14006 B13R1.669 OCCCNc1ccc(c(c1)O)O 34a_100102946323_100000230001 [0,2,0,0,0,0|2,0,0]=4 14007 B13R1.669 OCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000230001 [0,2,0,0,0,0|2,0,0]=4 14008 B13R1.669 OCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011215043 [0,2,0,0,0,0|2,0,0]=4 14009 B13R1.669 OCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000230001 [0,2,0,0,0,0|2,0,0]=4 14010 B13R1.669 OCCCOc1ccc(c(c1)Br)F 7a_100000693481_100011215043 [0,2,0,0,0,0|2,0,0]=4 14011 B13R1.669 OCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000230001 [0,2,0,0,0,0|2,0,0]=4 14012 B13R1.669 OCCCOc1ccc(c(c1)Br)I 7a_100000701344_100011215043 [0,2,0,0,0,0|2,0,0]=4 14013 B13R1.669 OCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000230001 [0,2,0,0,0,0|2,0,0]=4 14014 B13R1.669 OCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011215043 [0,2,0,0,0,0|2,0,0]=4 14015 B13R1.669 OCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000230001 [0,2,0,0,0,0|2,0,0]=4 14016 B13R1.669 OCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215043 [0,2,0,0,0,0|2,0,0]=4 14017 B13R1.669 OCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000230001 [0,2,0,0,0,0|2,0,0]=4 14018 B13R1.669 OCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011215043 [0,2,0,0,0,0|2,0,0]=4 14019 B13R1.669 OCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000230001 [0,2,0,0,0,0|2,0,0]=4 14020 B13R1.669 OCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011215043 [0,2,0,0,0,0|2,0,0]=4 14021 B13R1.669 OCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000230001 [0,2,0,0,0,0|2,0,0]=4 14022 B13R1.669 OCCCOc1ccc(c(c1)F)Br 7a_100000755031_100011215043 [0,2,0,0,0,0|2,0,0]=4 14023 B13R1.669 OCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000230001 [0,2,0,0,0,0|2,0,0]=4 14024 B13R1.669 OCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011215043 [0,2,0,0,0,0|2,0,0]=4 14025 B13R1.669 OCCCOc1ccc(c(c1)F)F 34a_100000181275_100000230001 [0,2,0,0,0,0|2,0,0]=4 14026 B13R1.669 OCCCOc1ccc(c(c1)F)F 7a_100000181275_100011215043 [0,2,0,0,0,0|2,0,0]=4 14027 B13R1.669 OCCCOc1ccc(c(c1)F)I 34a_100009990212_100000230001 [0,2,0,0,0,0|2,0,0]=4 14028 B13R1.669 OCCCOc1ccc(c(c1)F)I 7a_100009990212_100011215043 [0,2,0,0,0,0|2,0,0]=4 14029 B13R1.669 OCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000230001 [0,2,0,0,0,0|2,0,0]=4 14030 B13R1.669 OCCCOc1ccc(c(c1)I)Br 7a_100012339312_100011215043 [0,2,0,0,0,0|2,0,0]=4 14031 B13R1.669 OCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000230001 [0,2,0,0,0,0|2,0,0]=4 14032 B13R1.669 OCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011215043 [0,2,0,0,0,0|2,0,0]=4 14033 B13R1.669 OCCCSc1ccc(c(c1)Br)Br 62a_100011215043_100012356285 [0,2,0,0,0,0|2,0,0]=4 14034 B13R1.669 OCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100011215043 [0,2,0,0,0,0|2,0,0]=4 14035 B13R1.669 OCCCSc1ccc(c(c1)Br)Cl 62a_100011215043_100012353702 [0,2,0,0,0,0|2,0,0]=4 14036 B13R1.669 OCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011215043 [0,2,0,0,0,0|2,0,0]=4 14037 B13R1.669 OCCCSc1ccc(c(c1)Br)F 62a_100011215043_100012047266 [0,2,0,0,0,0|2,0,0]=4 14038 B13R1.669 OCCCSc1ccc(c(c1)Br)F 62a_100012047266_100011215043 [0,2,0,0,0,0|2,0,0]=4 14039 B13R1.669 OCCCSc1ccc(c(c1)Br)O 62a_100011215043_100012361655 [0,2,0,0,0,0|2,0,0]=4 14040 B13R1.669 OCCCSc1ccc(c(c1)Br)O 62a_100012361655_100011215043 [0,2,0,0,0,0|2,0,0]=4 14041 B13R1.669 OCCCSc1ccc(c(c1)Cl)Br 62a_100011215043_100012047281 [0,2,0,0,0,0|2,0,0]=4 14042 B13R1.669 OCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100011215043 [0,2,0,0,0,0|2,0,0]=4 14043 B13R1.669 OCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011215043 [0,2,0,0,0,0|2,0,0]=4 14044 B13R1.669 OCCCSc1ccc(c(c1)Cl)Cl 62a_100011215043_100011214914 [0,2,0,0,0,0|2,0,0]=4 14045 B13R1.669 OCCCSc1ccc(c(c1)Cl)F 62a_100011215043_100011215976 [0,2,0,0,0,0|2,0,0]=4 14046 B13R1.669 OCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100011215043 [0,2,0,0,0,0|2,0,0]=4 14047 B13R1.669 OCCCSc1ccc(c(c1)Cl)O 62a_100011215043_100012360047 [0,2,0,0,0,0|2,0,0]=4 14048 B13R1.669 OCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100011215043 [0,2,0,0,0,0|2,0,0]=4 14049 B13R1.669 OCCCSc1ccc(c(c1)F)Br 62a_100000685389_100011215043 [0,2,0,0,0,0|2,0,0]=4 14050 B13R1.669 OCCCSc1ccc(c(c1)F)Br 62a_100011215043_100000685389 [0,2,0,0,0,0|2,0,0]=4 14051 B13R1.669 OCCCSc1ccc(c(c1)F)Cl 62a_100011215043_100011216805 [0,2,0,0,0,0|2,0,0]=4 14052 B13R1.669 OCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011215043 [0,2,0,0,0,0|2,0,0]=4 14053 B13R1.669 OCCCSc1ccc(c(c1)F)F 62a_100000703953_100011215043 [0,2,0,0,0,0|2,0,0]=4 14054 B13R1.669 OCCCSc1ccc(c(c1)F)F 62a_100011215043_100000703953 [0,2,0,0,0,0|2,0,0]=4 14055 B13R1.669 OCCCSc1ccc(c(c1)F)O 62a_100000185481_100011215043 [0,2,0,0,0,0|2,0,0]=4 14056 B13R1.669 OCCCSc1ccc(c(c1)F)O 62a_100011215043_100000185481 [0,2,0,0,0,0|2,0,0]=4 14057 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100011215043_100012356990 [0,2,0,0,0,0|2,0,0]=4 14058 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100012356990_100011215043 [0,2,0,0,0,0|2,0,0]=4 14059 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011215043_100011356854 [0,2,0,0,0,0|2,0,0]=4 14060 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100011215043 [0,2,0,0,0,0|2,0,0]=4 14061 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100000686035_100011215043 [0,2,0,0,0,0|2,0,0]=4 14062 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100011215043_100000686035 [0,2,0,0,0,0|2,0,0]=4 14063 B13R1.669 OCCCSc1ccc(c(c1)O)O 62a_100011215043_100009813601 [0,2,0,0,0,0|2,0,0]=4 14064 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 207a_100000210304_100011215943 [0,2,0,0,0,0|2,0,0]=4 14065 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000211926 [0,2,0,0,0,0|2,0,0]=4 14066 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 2230a_100016997473_100012353900 [0,2,0,0,0,0|2,0,0]=4 14067 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 270004a_100000210304_100011215943 [0,2,0,0,0,0|2,0,0]=4 14068 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000211926 [0,2,0,0,0,0|2,0,0]=4 14069 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 34a_100016990907_100012353900 [0,2,0,0,0,0|2,0,0]=4 14070 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 207a_100000210304_100000693810 [0,2,0,0,0,0|2,0,0]=4 14071 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000211926 [0,2,0,0,0,0|2,0,0]=4 14072 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 2230a_100016997473_100012353894 [0,2,0,0,0,0|2,0,0]=4 14073 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 270004a_100000210304_100000693810 [0,2,0,0,0,0|2,0,0]=4 14074 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000211926 [0,2,0,0,0,0|2,0,0]=4 14075 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 34a_100016990907_100012353894 [0,2,0,0,0,0|2,0,0]=4 14076 B13R1.669 OCCNCc1ccc(c(c1)Br)F 207a_100000210304_100000211747 [0,2,0,0,0,0|2,0,0]=4 14077 B13R1.669 OCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000211926 [0,2,0,0,0,0|2,0,0]=4 14078 B13R1.669 OCCNCc1ccc(c(c1)Br)F 2230a_100016997473_100011206884 [0,2,0,0,0,0|2,0,0]=4 14079 B13R1.669 OCCNCc1ccc(c(c1)Br)F 270004a_100000210304_100000211747 [0,2,0,0,0,0|2,0,0]=4 14080 B13R1.669 OCCNCc1ccc(c(c1)Br)F 34a_100015193890_100000211926 [0,2,0,0,0,0|2,0,0]=4 14081 B13R1.669 OCCNCc1ccc(c(c1)Br)F 34a_100016990907_100011206884 [0,2,0,0,0,0|2,0,0]=4 14082 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 207a_100000210304_100000690054 [0,2,0,0,0,0|2,0,0]=4 14083 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000211926 [0,2,0,0,0,0|2,0,0]=4 14084 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 2230a_100016997473_100012353895 [0,2,0,0,0,0|2,0,0]=4 14085 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 270004a_100000210304_100000690054 [0,2,0,0,0,0|2,0,0]=4 14086 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000211926 [0,2,0,0,0,0|2,0,0]=4 14087 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 34a_100016990907_100012353895 [0,2,0,0,0,0|2,0,0]=4 14088 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 207a_100000210304_100000188533 [0,2,0,0,0,0|2,0,0]=4 14089 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000211926 [0,2,0,0,0,0|2,0,0]=4 14090 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 2230a_100016997473_100000184707 [0,2,0,0,0,0|2,0,0]=4 14091 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 270004a_100000210304_100000188533 [0,2,0,0,0,0|2,0,0]=4 14092 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000211926 [0,2,0,0,0,0|2,0,0]=4 14093 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 34a_100016990907_100000184707 [0,2,0,0,0,0|2,0,0]=4 14094 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 207a_100000210304_100000742290 [0,2,0,0,0,0|2,0,0]=4 14095 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000211926 [0,2,0,0,0,0|2,0,0]=4 14096 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 2230a_100016997473_100000717365 [0,2,0,0,0,0|2,0,0]=4 14097 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 270004a_100000210304_100000742290 [0,2,0,0,0,0|2,0,0]=4 14098 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000211926 [0,2,0,0,0,0|2,0,0]=4 14099 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 34a_100016990907_100011934319 [0,2,0,0,0,0|2,0,0]=4 14100 B13R1.669 OCCNCc1ccc(c(c1)Cl)I 2230a_100016997473_100012349665 [0,2,0,0,0,0|2,0,0]=4 14101 B13R1.669 OCCNCc1ccc(c(c1)Cl)I 34a_100016990907_100012349665 [0,2,0,0,0,0|2,0,0]=4 14102 B13R1.669 OCCNCc1ccc(c(c1)F)Br 207a_100000210304_100000686674 [0,2,0,0,0,0|2,0,0]=4 14103 B13R1.669 OCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000211926 [0,2,0,0,0,0|2,0,0]=4 14104 B13R1.669 OCCNCc1ccc(c(c1)F)Br 2230a_100016997473_100000767054 [0,2,0,0,0,0|2,0,0]=4 14105 B13R1.669 OCCNCc1ccc(c(c1)F)Br 270004a_100000210304_100000686674 [0,2,0,0,0,0|2,0,0]=4 14106 B13R1.669 OCCNCc1ccc(c(c1)F)Br 34a_100000755036_100000211926 [0,2,0,0,0,0|2,0,0]=4 14107 B13R1.669 OCCNCc1ccc(c(c1)F)Br 34a_100016990907_100000767054 [0,2,0,0,0,0|2,0,0]=4 14108 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 207a_100000210304_100000745630 [0,2,0,0,0,0|2,0,0]=4 14109 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000211926 [0,2,0,0,0,0|2,0,0]=4 14110 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 2230a_100016997473_100000716492 [0,2,0,0,0,0|2,0,0]=4 14111 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 270004a_100000210304_100000745630 [0,2,0,0,0,0|2,0,0]=4 14112 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000211926 [0,2,0,0,0,0|2,0,0]=4 14113 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 34a_100016990907_100011519011 [0,2,0,0,0,0|2,0,0]=4 14114 B13R1.669 OCCNCc1ccc(c(c1)F)F 207a_100000210304_100000211062 [0,2,0,0,0,0|2,0,0]=4 14115 B13R1.669 OCCNCc1ccc(c(c1)F)F 2230a_100000737897_100000211926 [0,2,0,0,0,0|2,0,0]=4 14116 B13R1.669 OCCNCc1ccc(c(c1)F)F 2230a_100016997473_100000757363 [0,2,0,0,0,0|2,0,0]=4 14117 B13R1.669 OCCNCc1ccc(c(c1)F)F 270004a_100000210304_100000211062 [0,2,0,0,0,0|2,0,0]=4 14118 B13R1.669 OCCNCc1ccc(c(c1)F)F 34a_100000737897_100000211926 [0,2,0,0,0,0|2,0,0]=4 14119 B13R1.669 OCCNCc1ccc(c(c1)F)F 34a_100016990907_100000757363 [0,2,0,0,0,0|2,0,0]=4 14120 B13R1.669 OCCNCc1ccc(c(c1)F)I 207a_100000210304_100000050832 [0,2,0,0,0,0|2,0,0]=4 14121 B13R1.669 OCCNCc1ccc(c(c1)F)I 2230a_100016997473_100010149604 [0,2,0,0,0,0|2,0,0]=4 14122 B13R1.669 OCCNCc1ccc(c(c1)F)I 270004a_100000210304_100000050832 [0,2,0,0,0,0|2,0,0]=4 14123 B13R1.669 OCCNCc1ccc(c(c1)F)I 34a_100016990907_100010149604 [0,2,0,0,0,0|2,0,0]=4 14124 B13R1.669 OCCNCc1ccc(c(c1)F)O 34a_100000758358_100000211926 [0,2,0,0,0,0|2,0,0]=4 14125 B13R1.669 OCCNCc1ccc(c(c1)I)Br 207a_100000210304_100010146563 [0,2,0,0,0,0|2,0,0]=4 14126 B13R1.669 OCCNCc1ccc(c(c1)I)Br 2230a_100016997473_100010146616 [0,2,0,0,0,0|2,0,0]=4 14127 B13R1.669 OCCNCc1ccc(c(c1)I)Br 270004a_100000210304_100010146563 [0,2,0,0,0,0|2,0,0]=4 14128 B13R1.669 OCCNCc1ccc(c(c1)I)Br 34a_100016990907_100010146616 [0,2,0,0,0,0|2,0,0]=4 14129 B13R1.669 OCCNCc1ccc(c(c1)I)Cl 207a_100000210304_100010209939 [0,2,0,0,0,0|2,0,0]=4 14130 B13R1.669 OCCNCc1ccc(c(c1)I)Cl 270004a_100000210304_100010209939 [0,2,0,0,0,0|2,0,0]=4 14131 B13R1.669 OCCNCc1ccc(c(c1)I)F 207a_100000210304_100010188209 [0,2,0,0,0,0|2,0,0]=4 14132 B13R1.669 OCCNCc1ccc(c(c1)I)F 2230a_100016997473_100010188208 [0,2,0,0,0,0|2,0,0]=4 14133 B13R1.669 OCCNCc1ccc(c(c1)I)F 270004a_100000210304_100010188209 [0,2,0,0,0,0|2,0,0]=4 14134 B13R1.669 OCCNCc1ccc(c(c1)I)F 34a_100016990907_100010188208 [0,2,0,0,0,0|2,0,0]=4 14135 B13R1.669 OCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000211926 [0,2,0,0,0,0|2,0,0]=4 14136 B13R1.669 OCCNCc1ccc(c(c1)O)F 34a_100160469508_100000211926 [0,2,0,0,0,0|2,0,0]=4 14137 B13R1.669 OCCNCc1ccc(c(c1)O)O 34a_100000010075_100000211926 [0,2,0,0,0,0|2,0,0]=4 14138 B13R1.669 OCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000211926 [0,2,0,0,0,0|2,0,0]=4 14139 B13R1.669 OCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000211926 [0,2,0,0,0,0|2,0,0]=4 14140 B13R1.669 OCCOCc1ccc(c(c1)Br)F 34a_100000246287_100000211926 [0,2,0,0,0,0|2,0,0]=4 14141 B13R1.669 OCCOCc1ccc(c(c1)Br)F 7a_100000246287_100000211926 [0,2,0,0,0,0|2,0,0]=4 14142 B13R1.669 OCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000211926 [0,2,0,0,0,0|2,0,0]=4 14143 B13R1.669 OCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100000211926 [0,2,0,0,0,0|2,0,0]=4 14144 B13R1.669 OCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000211926 [0,2,0,0,0,0|2,0,0]=4 14145 B13R1.669 OCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000211926 [0,2,0,0,0,0|2,0,0]=4 14146 B13R1.669 OCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000211926 [0,2,0,0,0,0|2,0,0]=4 14147 B13R1.669 OCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100000211926 [0,2,0,0,0,0|2,0,0]=4 14148 B13R1.669 OCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000211926 [0,2,0,0,0,0|2,0,0]=4 14149 B13R1.669 OCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100000211926 [0,2,0,0,0,0|2,0,0]=4 14150 B13R1.669 OCCOCc1ccc(c(c1)F)Br 34a_100011533735_100000211926 [0,2,0,0,0,0|2,0,0]=4 14151 B13R1.669 OCCOCc1ccc(c(c1)F)Br 7a_100011533735_100000211926 [0,2,0,0,0,0|2,0,0]=4 14152 B13R1.669 OCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000211926 [0,2,0,0,0,0|2,0,0]=4 14153 B13R1.669 OCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000211926 [0,2,0,0,0,0|2,0,0]=4 14154 B13R1.669 OCCOCc1ccc(c(c1)F)F 34a_100011215442_100000211926 [0,2,0,0,0,0|2,0,0]=4 14155 B13R1.669 OCCOCc1ccc(c(c1)F)F 7a_100011215442_100000211926 [0,2,0,0,0,0|2,0,0]=4 14156 B13R1.669 OCCOCc1ccc(c(c1)F)I 34a_100010149597_100000211926 [0,2,0,0,0,0|2,0,0]=4 14157 B13R1.669 OCCOCc1ccc(c(c1)F)I 7a_100010149597_100000211926 [0,2,0,0,0,0|2,0,0]=4 14158 B13R1.669 OCCOCc1ccc(c(c1)I)F 34a_100000049585_100000211926 [0,2,0,0,0,0|2,0,0]=4 14159 B13R1.669 OCCOCc1ccc(c(c1)I)F 7a_100000049585_100000211926 [0,2,0,0,0,0|2,0,0]=4 14160 B13R1.669 OCCSCc1ccc(c(c1)Br)Br 62a_100000211926_100012353900 [0,2,0,0,0,0|2,0,0]=4 14161 B13R1.669 OCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100000211926 [0,2,0,0,0,0|2,0,0]=4 14162 B13R1.669 OCCSCc1ccc(c(c1)Br)Cl 62a_100000211926_100012353894 [0,2,0,0,0,0|2,0,0]=4 14163 B13R1.669 OCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000211926 [0,2,0,0,0,0|2,0,0]=4 14164 B13R1.669 OCCSCc1ccc(c(c1)Br)F 62a_100000211926_100011206884 [0,2,0,0,0,0|2,0,0]=4 14165 B13R1.669 OCCSCc1ccc(c(c1)Br)F 62a_100011206884_100000211926 [0,2,0,0,0,0|2,0,0]=4 14166 B13R1.669 OCCSCc1ccc(c(c1)Cl)Br 62a_100000211926_100012353895 [0,2,0,0,0,0|2,0,0]=4 14167 B13R1.669 OCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000211926 [0,2,0,0,0,0|2,0,0]=4 14168 B13R1.669 OCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000211926 [0,2,0,0,0,0|2,0,0]=4 14169 B13R1.669 OCCSCc1ccc(c(c1)Cl)Cl 62a_100000211926_100000184707 [0,2,0,0,0,0|2,0,0]=4 14170 B13R1.669 OCCSCc1ccc(c(c1)Cl)F 62a_100000211926_100011934319 [0,2,0,0,0,0|2,0,0]=4 14171 B13R1.669 OCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100000211926 [0,2,0,0,0,0|2,0,0]=4 14172 B13R1.669 OCCSCc1ccc(c(c1)Cl)I 62a_100000211926_100012349665 [0,2,0,0,0,0|2,0,0]=4 14173 B13R1.669 OCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100000211926 [0,2,0,0,0,0|2,0,0]=4 14174 B13R1.669 OCCSCc1ccc(c(c1)F)Br 62a_100000211926_100000767054 [0,2,0,0,0,0|2,0,0]=4 14175 B13R1.669 OCCSCc1ccc(c(c1)F)Br 62a_100000767054_100000211926 [0,2,0,0,0,0|2,0,0]=4 14176 B13R1.669 OCCSCc1ccc(c(c1)F)Cl 62a_100000211926_100000716492 [0,2,0,0,0,0|2,0,0]=4 14177 B13R1.669 OCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000211926 [0,2,0,0,0,0|2,0,0]=4 14178 B13R1.669 OCCSCc1ccc(c(c1)F)F 62a_100000211926_100000757363 [0,2,0,0,0,0|2,0,0]=4 14179 B13R1.669 OCCSCc1ccc(c(c1)F)F 62a_100000757363_100000211926 [0,2,0,0,0,0|2,0,0]=4 14180 B13R1.669 OCCSCc1ccc(c(c1)F)I 62a_100000211926_100010149604 [0,2,0,0,0,0|2,0,0]=4 14181 B13R1.669 OCCSCc1ccc(c(c1)F)I 62a_100010149604_100000211926 [0,2,0,0,0,0|2,0,0]=4 14182 B13R1.669 OCCSCc1ccc(c(c1)I)Br 62a_100000211926_100010146616 [0,2,0,0,0,0|2,0,0]=4 14183 B13R1.669 OCCSCc1ccc(c(c1)I)Br 62a_100010146616_100000211926 [0,2,0,0,0,0|2,0,0]=4 14184 B13R1.669 OCCSCc1ccc(c(c1)I)F 62a_100000211926_100010188208 [0,2,0,0,0,0|2,0,0]=4 14185 B13R1.669 OCCSCc1ccc(c(c1)I)F 62a_100010188208_100000211926 [0,2,0,0,0,0|2,0,0]=4 14186 B13R1.669 Oc1cc(ccc1Br)SCCCF 62a_100011934791_100012356990 [0,2,0,0,0,0|2,0,0]=4 14187 B13R1.669 Oc1cc(ccc1Br)SCCCF 62a_100012356990_100011934791 [0,2,0,0,0,0|2,0,0]=4 14188 B13R1.669 Oc1cc(ccc1Cl)CNCCF 34a_100020636435_100011217306 [0,2,0,0,0,0|2,0,0]=4 14189 B13R1.669 Oc1cc(ccc1Cl)NCCCF 34a_100011934209_100011934791 [0,2,0,0,0,0|2,0,0]=4 14190 B13R1.669 Oc1cc(ccc1Cl)SCCCF 62a_100011356854_100011934791 [0,2,0,0,0,0|2,0,0]=4 14191 B13R1.669 Oc1cc(ccc1Cl)SCCCF 62a_100011934791_100011356854 [0,2,0,0,0,0|2,0,0]=4 14192 B13R1.669 Oc1cc(ccc1F)CNCCF 34a_100160469508_100011217306 [0,2,0,0,0,0|2,0,0]=4 14193 B13R1.669 Oc1cc(ccc1F)NCCCF 34a_100012017398_100011934791 [0,2,0,0,0,0|2,0,0]=4 14194 B13R1.669 Oc1cc(ccc1F)NCCCF 7a_100012017398_100011934791 [0,2,0,0,0,0|2,0,0]=4 14195 B13R1.669 Oc1cc(ccc1F)SCCCF 62a_100000686035_100011934791 [0,2,0,0,0,0|2,0,0]=4 14196 B13R1.669 Oc1cc(ccc1F)SCCCF 62a_100011934791_100000686035 [0,2,0,0,0,0|2,0,0]=4 14197 B13R1.669 Oc1ccc(cc1Br)NCCCF 34a_100011534360_100011934791 [0,2,0,0,0,0|2,0,0]=4 14198 B13R1.669 Oc1ccc(cc1Br)SCCCF 62a_100011934791_100012361655 [0,2,0,0,0,0|2,0,0]=4 14199 B13R1.669 Oc1ccc(cc1Br)SCCCF 62a_100012361655_100011934791 [0,2,0,0,0,0|2,0,0]=4 14200 B13R1.669 Oc1ccc(cc1Cl)NCCCF 34a_100000744943_100011934791 [0,2,0,0,0,0|2,0,0]=4 14201 B13R1.669 Oc1ccc(cc1Cl)SCCCF 62a_100011934791_100012360047 [0,2,0,0,0,0|2,0,0]=4 14202 B13R1.669 Oc1ccc(cc1Cl)SCCCF 62a_100012360047_100011934791 [0,2,0,0,0,0|2,0,0]=4 14203 B13R1.669 Oc1ccc(cc1F)CNCCF 34a_100000758358_100011217306 [0,2,0,0,0,0|2,0,0]=4 14204 B13R1.669 Oc1ccc(cc1F)NCCCF 34a_100011220035_100011934791 [0,2,0,0,0,0|2,0,0]=4 14205 B13R1.669 Oc1ccc(cc1F)NCCCF 7a_100011220035_100011934791 [0,2,0,0,0,0|2,0,0]=4 14206 B13R1.669 Oc1ccc(cc1F)SCCCF 62a_100000185481_100011934791 [0,2,0,0,0,0|2,0,0]=4 14207 B13R1.669 Oc1ccc(cc1F)SCCCF 62a_100011934791_100000185481 [0,2,0,0,0,0|2,0,0]=4 14208 B13R1.669 Oc1ccc(cc1O)CCNCF 34a_100000210387_100015361967 [0,2,0,0,0,0|2,0,0]=4 14209 B13R1.669 Oc1ccc(cc1O)CCSCF 62a_100015361967_200010393615 [0,2,0,0,0,0|2,0,0]=4 14210 B13R1.669 Oc1ccc(cc1O)CNCCF 34a_100000010075_100011217306 [0,2,0,0,0,0|2,0,0]=4 14211 B13R1.669 Oc1ccc(cc1O)NCCCF 34a_100102946323_100011934791 [0,2,0,0,0,0|2,0,0]=4 14212 B13R1.669 Oc1ccc(cc1O)SCCCF 62a_100011934791_100009813601 [0,2,0,0,0,0|2,0,0]=4 14213 B13R1.6 BrCCCOCc1cc(ccn1)Br 34a_100011217188_100010173614 [0,2,0,0,0,0|2,0,0]=4 14214 B13R1.6 BrCCCOCc1cccc(c1)Br 34a_100011217188_100000698116 [0,2,0,0,0,0|1,0,0]=3 14215 B13R1.6 BrCCCOCc1cccc(c1)I 34a_100011217188_100011218688 [0,2,0,0,0,0|1,0,0]=3 14216 B13R1.6 BrCCCOCc1cccc(n1)Br 34a_100011217188_100009889011 [0,2,0,0,0,0|2,0,0]=4 14217 B13R1.6 BrCCCOCc1ccnc(c1)Br 34a_100011217188_100010243470 [0,2,0,0,0,0|2,0,0]=4 14218 B13R1.6 BrCCCOCc1cncc(c1)Br 34a_100011217188_100000738771 [0,2,0,0,0,0|2,0,0]=4 14219 B13R1.6 BrCCOCCc1cccc(c1)Br 34a_100000211926_100011740638 [0,2,0,0,0,0|1,0,0]=3 14220 B13R1.6 C#CCCCNc1cccc(c1)Br 34a_100000210019_100000695029 [0,2,0,0,0,0|1,0,1]=4 14221 B13R1.6 C#CCCCNc1cccc(c1)C 2230a_100000188690_100000731252 [0,2,0,0,0,0|1,0,1]=4 14222 B13R1.6 C#CCCCNc1cccc(c1)C 34a_100000188690_100000695029 [0,2,0,0,0,0|1,0,1]=4 14223 B13R1.6 C#CCCCNc1cccc(c1)Cl 34a_100000185859_100000695029 [0,2,0,0,0,0|1,0,1]=4 14224 B13R1.6 C#CCCCNc1cccc(c1)F 34a_100000210047_100000695029 [0,2,0,0,0,0|1,0,1]=4 14225 B13R1.6 C#CCCCNc1cccc(c1)I 34a_100000211102_100000695029 [0,2,0,0,0,0|1,0,1]=4 14226 B13R1.6 C#CCCCNc1cccc(c1)O 34a_100000210217_100000695029 [0,2,0,0,0,0|1,0,1]=4 14227 B13R1.6 C#CCCCOc1cccc(c1)Br 34a_100000210342_100000695029 [0,2,0,0,0,0|1,0,1]=4 14228 B13R1.6 C#CCCCOc1cccc(c1)Br 7a_100000210342_100011215417 [0,2,0,0,0,0|1,0,1]=4 14229 B13R1.6 C#CCCCOc1cccc(c1)C 34a_100000210337_100000695029 [0,2,0,0,0,0|1,0,1]=4 14230 B13R1.6 C#CCCCOc1cccc(c1)C 7a_100000210337_100011215417 [0,2,0,0,0,0|1,0,1]=4 14231 B13R1.6 C#CCCCOc1cccc(c1)Cl 34a_100000210295_100000695029 [0,2,0,0,0,0|1,0,1]=4 14232 B13R1.6 C#CCCCOc1cccc(c1)Cl 7a_100000210295_100011215417 [0,2,0,0,0,0|1,0,1]=4 14233 B13R1.6 C#CCCCOc1cccc(c1)F 34a_100000210426_100000695029 [0,2,0,0,0,0|1,0,1]=4 14234 B13R1.6 C#CCCCOc1cccc(c1)F 7a_100000210426_100011215417 [0,2,0,0,0,0|1,0,1]=4 14235 B13R1.6 C#CCCCOc1cccc(c1)I 34a_100000211634_100000695029 [0,2,0,0,0,0|1,0,1]=4 14236 B13R1.6 C#CCCCOc1cccc(c1)I 7a_100000211634_100011215417 [0,2,0,0,0,0|1,0,1]=4 14237 B13R1.6 C#CCCCOc1cccc(c1)N 34a_100000210217_100000695029 [0,2,0,0,0,0|1,0,1]=4 14238 B13R1.6 C#CCCCSc1cccc(c1)Br 62a_100000691529_100011215417 [0,2,0,0,0,0|1,0,1]=4 14239 B13R1.6 C#CCCCSc1cccc(c1)Br 62a_100011215417_100000691529 [0,2,0,0,0,0|1,0,1]=4 14240 B13R1.6 C#CCCCSc1cccc(c1)C 62a_100011215228_100011215417 [0,2,0,0,0,0|1,0,1]=4 14241 B13R1.6 C#CCCCSc1cccc(c1)C 62a_100011215417_100011215228 [0,2,0,0,0,0|1,0,1]=4 14242 B13R1.6 C#CCCCSc1cccc(c1)Cl 62a_100000699651_100011215417 [0,2,0,0,0,0|1,0,1]=4 14243 B13R1.6 C#CCCCSc1cccc(c1)Cl 62a_100011215417_100000699651 [0,2,0,0,0,0|1,0,1]=4 14244 B13R1.6 C#CCCCSc1cccc(c1)F 62a_100000685547_100011215417 [0,2,0,0,0,0|1,0,1]=4 14245 B13R1.6 C#CCCCSc1cccc(c1)F 62a_100011215417_100000685547 [0,2,0,0,0,0|1,0,1]=4 14246 B13R1.6 C#CCCCSc1cccc(c1)N 62a_100000210019_100011215417 [0,2,0,0,0,0|1,0,1]=4 14247 B13R1.6 C#CCCCSc1cccc(c1)N 62a_100011215417_100000210019 [0,2,0,0,0,0|1,0,1]=4 14248 B13R1.6 C#CCCCSc1cccc(c1)O 62a_100011215417_100000211634 [0,2,0,0,0,0|1,0,1]=4 14249 B13R1.6 C#CCCCSc1cccc(c1)[S] 62a_100011215417_114929384022 [0,2,0,0,0,0|1,0,1]=4 14250 B13R1.6 C#CCCCSc1cccc(c1)[S] 62a_114929384022_100011215417 [0,2,0,0,0,0|1,0,1]=4 14251 B13R1.6 C#CCCNCc1cccc(c1)Br 2230a_100000174977_100000688953 [0,2,0,0,0,0|1,0,1]=4 14252 B13R1.6 C#CCCNCc1cccc(c1)Br 34a_100000174977_100000688953 [0,2,0,0,0,0|1,0,1]=4 14253 B13R1.6 C#CCCNCc1cccc(c1)Br 34a_100000755551_100000698116 [0,2,0,0,0,0|1,0,1]=4 14254 B13R1.6 C#CCCNCc1cccc(c1)C 2230a_100000185548_100000688953 [0,2,0,0,0,0|1,0,1]=4 14255 B13R1.6 C#CCCNCc1cccc(c1)C 34a_100000185548_100000688953 [0,2,0,0,0,0|1,0,1]=4 14256 B13R1.6 C#CCCNCc1cccc(c1)C 34a_100000755551_100000211840 [0,2,0,0,0,0|1,0,1]=4 14257 B13R1.6 C#CCCNCc1cccc(c1)Cl 2230a_100000174878_100000688953 [0,2,0,0,0,0|1,0,1]=4 14258 B13R1.6 C#CCCNCc1cccc(c1)Cl 34a_100000174878_100000688953 [0,2,0,0,0,0|1,0,1]=4 14259 B13R1.6 C#CCCNCc1cccc(c1)Cl 34a_100000755551_100000187163 [0,2,0,0,0,0|1,0,1]=4 14260 B13R1.6 C#CCCNCc1cccc(c1)F 2230a_100000174948_100000688953 [0,2,0,0,0,0|1,0,1]=4 14261 B13R1.6 C#CCCNCc1cccc(c1)F 34a_100000174948_100000688953 [0,2,0,0,0,0|1,0,1]=4 14262 B13R1.6 C#CCCNCc1cccc(c1)F 34a_100000755551_100000187166 [0,2,0,0,0,0|1,0,1]=4 14263 B13R1.6 C#CCCNCc1cccc(c1)I 2230a_100000106179_100000688953 [0,2,0,0,0,0|1,0,1]=4 14264 B13R1.6 C#CCCNCc1cccc(c1)I 34a_100000106179_100000688953 [0,2,0,0,0,0|1,0,1]=4 14265 B13R1.6 C#CCCNCc1cccc(c1)I 34a_100000755551_100011218688 [0,2,0,0,0,0|1,0,1]=4 14266 B13R1.6 C#CCCNCc1cccc(c1)O 2230a_100000743036_100000688953 [0,2,0,0,0,0|1,0,1]=4 14267 B13R1.6 C#CCCNCc1cccc(c1)O 34a_100000743036_100000688953 [0,2,0,0,0,0|1,0,1]=4 14268 B13R1.6 C#CCCNCc1cccc(c1)O 34a_100000755551_100011660834 [0,2,0,0,0,0|1,0,1]=4 14269 B13R1.6 C#CCCOCc1cccc(c1)Br 34a_100000687537_100000688953 [0,2,0,0,0,0|1,0,1]=4 14270 B13R1.6 C#CCCOCc1cccc(c1)Br 34a_100011215631_100000698116 [0,2,0,0,0,0|1,0,1]=4 14271 B13R1.6 C#CCCOCc1cccc(c1)Br 7a_100000687537_100000688953 [0,2,0,0,0,0|1,0,1]=4 14272 B13R1.6 C#CCCOCc1cccc(c1)C 34a_100011215631_100000211840 [0,2,0,0,0,0|1,0,1]=4 14273 B13R1.6 C#CCCOCc1cccc(c1)C 34a_100011217746_100000688953 [0,2,0,0,0,0|1,0,1]=4 14274 B13R1.6 C#CCCOCc1cccc(c1)C 7a_100011217746_100000688953 [0,2,0,0,0,0|1,0,1]=4 14275 B13R1.6 C#CCCOCc1cccc(c1)Cl 34a_100000241301_100000688953 [0,2,0,0,0,0|1,0,1]=4 14276 B13R1.6 C#CCCOCc1cccc(c1)Cl 34a_100011215631_100000187163 [0,2,0,0,0,0|1,0,1]=4 14277 B13R1.6 C#CCCOCc1cccc(c1)Cl 7a_100000241301_100000688953 [0,2,0,0,0,0|1,0,1]=4 14278 B13R1.6 C#CCCOCc1cccc(c1)F 34a_100000210976_100000688953 [0,2,0,0,0,0|1,0,1]=4 14279 B13R1.6 C#CCCOCc1cccc(c1)F 34a_100011215631_100000187166 [0,2,0,0,0,0|1,0,1]=4 14280 B13R1.6 C#CCCOCc1cccc(c1)F 7a_100000210976_100000688953 [0,2,0,0,0,0|1,0,1]=4 14281 B13R1.6 C#CCCOCc1cccc(c1)I 34a_100011215336_100000688953 [0,2,0,0,0,0|1,0,1]=4 14282 B13R1.6 C#CCCOCc1cccc(c1)I 34a_100011215631_100011218688 [0,2,0,0,0,0|1,0,1]=4 14283 B13R1.6 C#CCCOCc1cccc(c1)I 7a_100011215336_100000688953 [0,2,0,0,0,0|1,0,1]=4 14284 B13R1.6 C#CCCOCc1cccc(c1)N 34a_100000211919_100000688953 [0,2,0,0,0,0|1,0,1]=4 14285 B13R1.6 C#CCCOCc1cccc(c1)O 34a_100011215631_100011660834 [0,2,0,0,0,0|1,0,1]=4 14286 B13R1.6 C#CCCSCc1cccc(c1)Br 62a_100000211773_100000688953 [0,2,0,0,0,0|1,0,1]=4 14287 B13R1.6 C#CCCSCc1cccc(c1)Br 62a_100000688953_100000211773 [0,2,0,0,0,0|1,0,1]=4 14288 B13R1.6 C#CCCSCc1cccc(c1)C 62a_100000211840_100000688953 [0,2,0,0,0,0|1,0,1]=4 14289 B13R1.6 C#CCCSCc1cccc(c1)C 62a_100000688953_100000211840 [0,2,0,0,0,0|1,0,1]=4 14290 B13R1.6 C#CCCSCc1cccc(c1)Cl 62a_100000187163_100000688953 [0,2,0,0,0,0|1,0,1]=4 14291 B13R1.6 C#CCCSCc1cccc(c1)Cl 62a_100000688953_100000187163 [0,2,0,0,0,0|1,0,1]=4 14292 B13R1.6 C#CCCSCc1cccc(c1)F 62a_100000230114_100000688953 [0,2,0,0,0,0|1,0,1]=4 14293 B13R1.6 C#CCCSCc1cccc(c1)F 62a_100000688953_100000230114 [0,2,0,0,0,0|1,0,1]=4 14294 B13R1.6 C#CCCSCc1cccc(c1)I 62a_100000688953_100011218688 [0,2,0,0,0,0|1,0,1]=4 14295 B13R1.6 C#CCCSCc1cccc(c1)I 62a_100011218688_100000688953 [0,2,0,0,0,0|1,0,1]=4 14296 B13R1.6 C#CCCSCc1cccc(c1)O 62a_100000688953_100011660834 [0,2,0,0,0,0|1,0,1]=4 14297 B13R1.6 C#CCCSCc1cccc(c1)O 62a_100011660834_100000688953 [0,2,0,0,0,0|1,0,1]=4 14298 B13R1.6 C#CCNCCc1cccc(c1)Br 2230a_100011207229_100000038162 [0,2,0,0,0,0|1,0,1]=4 14299 B13R1.6 C#CCNCCc1cccc(c1)Br 34a_100000212058_100011740638 [0,2,0,0,0,0|1,0,1]=4 14300 B13R1.6 C#CCNCCc1cccc(c1)Br 34a_100011207229_100000184674 [0,2,0,0,0,0|1,0,1]=4 14301 B13R1.6 C#CCNCCc1cccc(c1)C 2230a_100000749837_100000038162 [0,2,0,0,0,0|1,0,1]=4 14302 B13R1.6 C#CCNCCc1cccc(c1)C 34a_100000212058_100011713685 [0,2,0,0,0,0|1,0,1]=4 14303 B13R1.6 C#CCNCCc1cccc(c1)C 34a_100000749837_100000184674 [0,2,0,0,0,0|1,0,1]=4 14304 B13R1.6 C#CCNCCc1cccc(c1)Cl 2230a_100000185263_100000038162 [0,2,0,0,0,0|1,0,1]=4 14305 B13R1.6 C#CCNCCc1cccc(c1)Cl 34a_100000185263_100000184674 [0,2,0,0,0,0|1,0,1]=4 14306 B13R1.6 C#CCNCCc1cccc(c1)Cl 34a_100000212058_100011713710 [0,2,0,0,0,0|1,0,1]=4 14307 B13R1.6 C#CCNCCc1cccc(c1)F 2230a_100000205154_100000038162 [0,2,0,0,0,0|1,0,1]=4 14308 B13R1.6 C#CCNCCc1cccc(c1)F 34a_100000205154_100000184674 [0,2,0,0,0,0|1,0,1]=4 14309 B13R1.6 C#CCNCCc1cccc(c1)F 34a_100000212058_100011217235 [0,2,0,0,0,0|1,0,1]=4 14310 B13R1.6 C#CCNCCc1cccc(c1)O 2230a_100000747277_100000038162 [0,2,0,0,0,0|1,0,1]=4 14311 B13R1.6 C#CCNCCc1cccc(c1)O 34a_100000747277_100000184674 [0,2,0,0,0,0|1,0,1]=4 14312 B13R1.6 C#CCOCCc1cccc(c1)Br 34a_100000210247_100011740638 [0,2,0,0,0,0|1,0,1]=4 14313 B13R1.6 C#CCOCCc1cccc(c1)Br 34a_100011217444_100000184674 [0,2,0,0,0,0|1,0,1]=4 14314 B13R1.6 C#CCOCCc1cccc(c1)Br 7a_100011217444_100000038162 [0,2,0,0,0,0|1,0,1]=4 14315 B13R1.6 C#CCOCCc1cccc(c1)C 34a_100000210247_100011713685 [0,2,0,0,0,0|1,0,1]=4 14316 B13R1.6 C#CCOCCc1cccc(c1)C 34a_100011217157_100000184674 [0,2,0,0,0,0|1,0,1]=4 14317 B13R1.6 C#CCOCCc1cccc(c1)C 7a_100011217157_100000038162 [0,2,0,0,0,0|1,0,1]=4 14318 B13R1.6 C#CCOCCc1cccc(c1)Cl 34a_100000210247_100011713710 [0,2,0,0,0,0|1,0,1]=4 14319 B13R1.6 C#CCOCCc1cccc(c1)Cl 34a_100000754733_100000184674 [0,2,0,0,0,0|1,0,1]=4 14320 B13R1.6 C#CCOCCc1cccc(c1)Cl 7a_100000754733_100000038162 [0,2,0,0,0,0|1,0,1]=4 14321 B13R1.6 C#CCOCCc1cccc(c1)F 34a_100000210247_100011217235 [0,2,0,0,0,0|1,0,1]=4 14322 B13R1.6 C#CCOCCc1cccc(c1)F 34a_100000763591_100000184674 [0,2,0,0,0,0|1,0,1]=4 14323 B13R1.6 C#CCOCCc1cccc(c1)F 7a_100000763591_100000038162 [0,2,0,0,0,0|1,0,1]=4 14324 B13R1.6 C#CCOCCc1cccc(c1)N 34a_100011996697_100000184674 [0,2,0,0,0,0|1,0,1]=4 14325 B13R1.6 C#CCSCCc1cccc(c1)Br 62a_100000038162_100011740638 [0,2,0,0,0,0|1,0,1]=4 14326 B13R1.6 C#CCSCCc1cccc(c1)C 62a_100000038162_100011713685 [0,2,0,0,0,0|1,0,1]=4 14327 B13R1.6 C#CCSCCc1cccc(c1)Cl 62a_100000038162_100011713710 [0,2,0,0,0,0|1,0,1]=4 14328 B13R1.6 C#CCSCCc1cccc(c1)F 62a_100000038162_100011217235 [0,2,0,0,0,0|1,0,1]=4 14329 B13R1.6 C=CCCCNc1cccc(c1)Br 34a_100000210019_100000757094 [0,2,0,0,0,0|1,0,1]=4 14330 B13R1.6 C=CCCCNc1cccc(c1)C 2230a_100000188690_100011713584 [0,2,0,0,0,0|1,0,1]=4 14331 B13R1.6 C=CCCCNc1cccc(c1)C 34a_100000188690_100000757094 [0,2,0,0,0,0|1,0,1]=4 14332 B13R1.6 C=CCCCNc1cccc(c1)Cl 34a_100000185859_100000757094 [0,2,0,0,0,0|1,0,1]=4 14333 B13R1.6 C=CCCCNc1cccc(c1)F 34a_100000210047_100000757094 [0,2,0,0,0,0|1,0,1]=4 14334 B13R1.6 C=CCCCNc1cccc(c1)I 34a_100000211102_100000757094 [0,2,0,0,0,0|1,0,1]=4 14335 B13R1.6 C=CCCCNc1cccc(c1)O 34a_100000210217_100000757094 [0,2,0,0,0,0|1,0,1]=4 14336 B13R1.6 C=CCCCOc1cccc(c1)Br 34a_100000210342_100000757094 [0,2,0,0,0,0|1,0,1]=4 14337 B13R1.6 C=CCCCOc1cccc(c1)Br 7a_100000210342_100000757094 [0,2,0,0,0,0|1,0,1]=4 14338 B13R1.6 C=CCCCOc1cccc(c1)C 34a_100000210337_100000757094 [0,2,0,0,0,0|1,0,1]=4 14339 B13R1.6 C=CCCCOc1cccc(c1)C 7a_100000210337_100000757094 [0,2,0,0,0,0|1,0,1]=4 14340 B13R1.6 C=CCCCOc1cccc(c1)Cl 34a_100000210295_100000757094 [0,2,0,0,0,0|1,0,1]=4 14341 B13R1.6 C=CCCCOc1cccc(c1)Cl 7a_100000210295_100000757094 [0,2,0,0,0,0|1,0,1]=4 14342 B13R1.6 C=CCCCOc1cccc(c1)F 34a_100000210426_100000757094 [0,2,0,0,0,0|1,0,1]=4 14343 B13R1.6 C=CCCCOc1cccc(c1)F 7a_100000210426_100000757094 [0,2,0,0,0,0|1,0,1]=4 14344 B13R1.6 C=CCCCOc1cccc(c1)I 34a_100000211634_100000757094 [0,2,0,0,0,0|1,0,1]=4 14345 B13R1.6 C=CCCCOc1cccc(c1)I 7a_100000211634_100000757094 [0,2,0,0,0,0|1,0,1]=4 14346 B13R1.6 C=CCCCOc1cccc(c1)N 34a_100000210217_100000757094 [0,2,0,0,0,0|1,0,1]=4 14347 B13R1.6 C=CCCCSc1cccc(c1)Br 62a_100000691529_100000757094 [0,2,0,0,0,0|1,0,1]=4 14348 B13R1.6 C=CCCCSc1cccc(c1)Br 62a_100011713584_100000691529 [0,2,0,0,0,0|1,0,1]=4 14349 B13R1.6 C=CCCCSc1cccc(c1)C 62a_100011215228_100000757094 [0,2,0,0,0,0|1,0,1]=4 14350 B13R1.6 C=CCCCSc1cccc(c1)C 62a_100011713584_100011215228 [0,2,0,0,0,0|1,0,1]=4 14351 B13R1.6 C=CCCCSc1cccc(c1)Cl 62a_100000699651_100000757094 [0,2,0,0,0,0|1,0,1]=4 14352 B13R1.6 C=CCCCSc1cccc(c1)Cl 62a_100011713584_100000699651 [0,2,0,0,0,0|1,0,1]=4 14353 B13R1.6 C=CCCCSc1cccc(c1)F 62a_100000685547_100000757094 [0,2,0,0,0,0|1,0,1]=4 14354 B13R1.6 C=CCCCSc1cccc(c1)F 62a_100011713584_100000685547 [0,2,0,0,0,0|1,0,1]=4 14355 B13R1.6 C=CCCCSc1cccc(c1)N 62a_100000210019_100000757094 [0,2,0,0,0,0|1,0,1]=4 14356 B13R1.6 C=CCCCSc1cccc(c1)N 62a_100011713584_100000210019 [0,2,0,0,0,0|1,0,1]=4 14357 B13R1.6 C=CCCCSc1cccc(c1)O 62a_100011713584_100000211634 [0,2,0,0,0,0|1,0,1]=4 14358 B13R1.6 C=CCCCSc1cccc(c1)[S] 62a_100011713584_114929384022 [0,2,0,0,0,0|1,0,1]=4 14359 B13R1.6 C=CCCCSc1cccc(c1)[S] 62a_114929384022_100000757094 [0,2,0,0,0,0|1,0,1]=4 14360 B13R1.6 C=CCCNCc1cccc(c1)Br 207a_100015191253_100000210085 [0,2,0,0,0,0|1,0,1]=4 14361 B13R1.6 C=CCCNCc1cccc(c1)Br 2230a_100000174977_100000754431 [0,2,0,0,0,0|1,0,1]=4 14362 B13R1.6 C=CCCNCc1cccc(c1)Br 2230a_100015191253_100000698116 [0,2,0,0,0,0|1,0,1]=4 14363 B13R1.6 C=CCCNCc1cccc(c1)Br 270004a_100015191253_100000210085 [0,2,0,0,0,0|1,0,1]=4 14364 B13R1.6 C=CCCNCc1cccc(c1)Br 34a_100000174977_100000754431 [0,2,0,0,0,0|1,0,1]=4 14365 B13R1.6 C=CCCNCc1cccc(c1)C 207a_100015191253_100000211157 [0,2,0,0,0,0|1,0,1]=4 14366 B13R1.6 C=CCCNCc1cccc(c1)C 2230a_100000185548_100000754431 [0,2,0,0,0,0|1,0,1]=4 14367 B13R1.6 C=CCCNCc1cccc(c1)C 2230a_100015191253_100000211840 [0,2,0,0,0,0|1,0,1]=4 14368 B13R1.6 C=CCCNCc1cccc(c1)C 270004a_100015191253_100000211157 [0,2,0,0,0,0|1,0,1]=4 14369 B13R1.6 C=CCCNCc1cccc(c1)C 34a_100000185548_100000754431 [0,2,0,0,0,0|1,0,1]=4 14370 B13R1.6 C=CCCNCc1cccc(c1)Cl 207a_100015191253_100000210801 [0,2,0,0,0,0|1,0,1]=4 14371 B13R1.6 C=CCCNCc1cccc(c1)Cl 2230a_100000174878_100000754431 [0,2,0,0,0,0|1,0,1]=4 14372 B13R1.6 C=CCCNCc1cccc(c1)Cl 2230a_100015191253_100000181238 [0,2,0,0,0,0|1,0,1]=4 14373 B13R1.6 C=CCCNCc1cccc(c1)Cl 270004a_100015191253_100000210801 [0,2,0,0,0,0|1,0,1]=4 14374 B13R1.6 C=CCCNCc1cccc(c1)Cl 34a_100000174878_100000754431 [0,2,0,0,0,0|1,0,1]=4 14375 B13R1.6 C=CCCNCc1cccc(c1)F 207a_100015191253_100000210812 [0,2,0,0,0,0|1,0,1]=4 14376 B13R1.6 C=CCCNCc1cccc(c1)F 2230a_100000174948_100000754431 [0,2,0,0,0,0|1,0,1]=4 14377 B13R1.6 C=CCCNCc1cccc(c1)F 2230a_100015191253_100000230114 [0,2,0,0,0,0|1,0,1]=4 14378 B13R1.6 C=CCCNCc1cccc(c1)F 270004a_100015191253_100000210812 [0,2,0,0,0,0|1,0,1]=4 14379 B13R1.6 C=CCCNCc1cccc(c1)F 34a_100000174948_100000754431 [0,2,0,0,0,0|1,0,1]=4 14380 B13R1.6 C=CCCNCc1cccc(c1)I 207a_100015191253_100000014684 [0,2,0,0,0,0|1,0,1]=4 14381 B13R1.6 C=CCCNCc1cccc(c1)I 2230a_100000106179_100000754431 [0,2,0,0,0,0|1,0,1]=4 14382 B13R1.6 C=CCCNCc1cccc(c1)I 2230a_100015191253_100011218688 [0,2,0,0,0,0|1,0,1]=4 14383 B13R1.6 C=CCCNCc1cccc(c1)I 270004a_100015191253_100000014684 [0,2,0,0,0,0|1,0,1]=4 14384 B13R1.6 C=CCCNCc1cccc(c1)I 34a_100000106179_100000754431 [0,2,0,0,0,0|1,0,1]=4 14385 B13R1.6 C=CCCNCc1cccc(c1)O 207a_100015191253_100000188321 [0,2,0,0,0,0|1,0,1]=4 14386 B13R1.6 C=CCCNCc1cccc(c1)O 2230a_100000743036_100000754431 [0,2,0,0,0,0|1,0,1]=4 14387 B13R1.6 C=CCCNCc1cccc(c1)O 2230a_100015191253_100011660834 [0,2,0,0,0,0|1,0,1]=4 14388 B13R1.6 C=CCCNCc1cccc(c1)O 270004a_100015191253_100000188321 [0,2,0,0,0,0|1,0,1]=4 14389 B13R1.6 C=CCCNCc1cccc(c1)O 34a_100000743036_100000754431 [0,2,0,0,0,0|1,0,1]=4 14390 B13R1.6 C=CCCOCc1cccc(c1)Br 34a_100000687537_100000754431 [0,2,0,0,0,0|1,0,1]=4 14391 B13R1.6 C=CCCOCc1cccc(c1)Br 34a_100011205117_100000698116 [0,2,0,0,0,0|1,0,1]=4 14392 B13R1.6 C=CCCOCc1cccc(c1)Br 7a_100000687537_100000754431 [0,2,0,0,0,0|1,0,1]=4 14393 B13R1.6 C=CCCOCc1cccc(c1)C 34a_100011205117_100000211840 [0,2,0,0,0,0|1,0,1]=4 14394 B13R1.6 C=CCCOCc1cccc(c1)C 34a_100011217746_100000754431 [0,2,0,0,0,0|1,0,1]=4 14395 B13R1.6 C=CCCOCc1cccc(c1)C 7a_100011217746_100000754431 [0,2,0,0,0,0|1,0,1]=4 14396 B13R1.6 C=CCCOCc1cccc(c1)Cl 34a_100000241301_100000754431 [0,2,0,0,0,0|1,0,1]=4 14397 B13R1.6 C=CCCOCc1cccc(c1)Cl 34a_100011205117_100000187163 [0,2,0,0,0,0|1,0,1]=4 14398 B13R1.6 C=CCCOCc1cccc(c1)Cl 7a_100000241301_100000754431 [0,2,0,0,0,0|1,0,1]=4 14399 B13R1.6 C=CCCOCc1cccc(c1)F 34a_100000210976_100000754431 [0,2,0,0,0,0|1,0,1]=4 14400 B13R1.6 C=CCCOCc1cccc(c1)F 34a_100011205117_100000187166 [0,2,0,0,0,0|1,0,1]=4 14401 B13R1.6 C=CCCOCc1cccc(c1)F 7a_100000210976_100000754431 [0,2,0,0,0,0|1,0,1]=4 14402 B13R1.6 C=CCCOCc1cccc(c1)I 34a_100011205117_100011218688 [0,2,0,0,0,0|1,0,1]=4 14403 B13R1.6 C=CCCOCc1cccc(c1)I 34a_100011215336_100000754431 [0,2,0,0,0,0|1,0,1]=4 14404 B13R1.6 C=CCCOCc1cccc(c1)I 7a_100011215336_100000754431 [0,2,0,0,0,0|1,0,1]=4 14405 B13R1.6 C=CCCOCc1cccc(c1)N 34a_100000211919_100000754431 [0,2,0,0,0,0|1,0,1]=4 14406 B13R1.6 C=CCCOCc1cccc(c1)O 34a_100011205117_100011660834 [0,2,0,0,0,0|1,0,1]=4 14407 B13R1.6 C=CCCSCc1cccc(c1)Br 62a_100000211773_100000754431 [0,2,0,0,0,0|1,0,1]=4 14408 B13R1.6 C=CCCSCc1cccc(c1)Br 62a_100000754431_100000211773 [0,2,0,0,0,0|1,0,1]=4 14409 B13R1.6 C=CCCSCc1cccc(c1)C 62a_100000211840_100000754431 [0,2,0,0,0,0|1,0,1]=4 14410 B13R1.6 C=CCCSCc1cccc(c1)C 62a_100000754431_100000211840 [0,2,0,0,0,0|1,0,1]=4 14411 B13R1.6 C=CCCSCc1cccc(c1)Cl 62a_100000187163_100000754431 [0,2,0,0,0,0|1,0,1]=4 14412 B13R1.6 C=CCCSCc1cccc(c1)Cl 62a_100000754431_100000187163 [0,2,0,0,0,0|1,0,1]=4 14413 B13R1.6 C=CCCSCc1cccc(c1)F 62a_100000230114_100000754431 [0,2,0,0,0,0|1,0,1]=4 14414 B13R1.6 C=CCCSCc1cccc(c1)F 62a_100000754431_100000230114 [0,2,0,0,0,0|1,0,1]=4 14415 B13R1.6 C=CCCSCc1cccc(c1)I 62a_100000754431_100011218688 [0,2,0,0,0,0|1,0,1]=4 14416 B13R1.6 C=CCCSCc1cccc(c1)I 62a_100011218688_100000754431 [0,2,0,0,0,0|1,0,1]=4 14417 B13R1.6 C=CCCSCc1cccc(c1)O 62a_100000754431_100011660834 [0,2,0,0,0,0|1,0,1]=4 14418 B13R1.6 C=CCCSCc1cccc(c1)O 62a_100011660834_100000754431 [0,2,0,0,0,0|1,0,1]=4 14419 B13R1.6 C=CCNCCc1cccc(c1)Br 2230a_100011207229_100000210623 [0,2,0,0,0,0|1,0,1]=4 14420 B13R1.6 C=CCNCCc1cccc(c1)Br 2230a_100020586998_100011740638 [0,2,0,0,0,0|1,0,1]=4 14421 B13R1.6 C=CCNCCc1cccc(c1)Br 34a_100011207229_100015514636 [0,2,0,0,0,0|1,0,1]=4 14422 B13R1.6 C=CCNCCc1cccc(c1)C 2230a_100000749837_100000210623 [0,2,0,0,0,0|1,0,1]=4 14423 B13R1.6 C=CCNCCc1cccc(c1)C 2230a_100020586998_100011713685 [0,2,0,0,0,0|1,0,1]=4 14424 B13R1.6 C=CCNCCc1cccc(c1)C 34a_100000749837_100015514636 [0,2,0,0,0,0|1,0,1]=4 14425 B13R1.6 C=CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210623 [0,2,0,0,0,0|1,0,1]=4 14426 B13R1.6 C=CCNCCc1cccc(c1)Cl 2230a_100020586998_100011713710 [0,2,0,0,0,0|1,0,1]=4 14427 B13R1.6 C=CCNCCc1cccc(c1)Cl 34a_100000185263_100015514636 [0,2,0,0,0,0|1,0,1]=4 14428 B13R1.6 C=CCNCCc1cccc(c1)F 2230a_100000205154_100000210623 [0,2,0,0,0,0|1,0,1]=4 14429 B13R1.6 C=CCNCCc1cccc(c1)F 2230a_100020586998_100011217235 [0,2,0,0,0,0|1,0,1]=4 14430 B13R1.6 C=CCNCCc1cccc(c1)F 34a_100000205154_100015514636 [0,2,0,0,0,0|1,0,1]=4 14431 B13R1.6 C=CCNCCc1cccc(c1)O 2230a_100000747277_100000210623 [0,2,0,0,0,0|1,0,1]=4 14432 B13R1.6 C=CCNCCc1cccc(c1)O 34a_100000747277_100015514636 [0,2,0,0,0,0|1,0,1]=4 14433 B13R1.6 C=CCOCCc1cccc(c1)Br 34a_100011217444_100015514636 [0,2,0,0,0,0|1,0,1]=4 14434 B13R1.6 C=CCOCCc1cccc(c1)Br 34a_200000210373_100011740638 [0,2,0,0,0,0|1,0,1]=4 14435 B13R1.6 C=CCOCCc1cccc(c1)Br 7a_100011217444_100015514636 [0,2,0,0,0,0|1,0,1]=4 14436 B13R1.6 C=CCOCCc1cccc(c1)C 34a_100011217157_100015514636 [0,2,0,0,0,0|1,0,1]=4 14437 B13R1.6 C=CCOCCc1cccc(c1)C 34a_200000210373_100011713685 [0,2,0,0,0,0|1,0,1]=4 14438 B13R1.6 C=CCOCCc1cccc(c1)C 7a_100011217157_100015514636 [0,2,0,0,0,0|1,0,1]=4 14439 B13R1.6 C=CCOCCc1cccc(c1)Cl 34a_100000754733_100015514636 [0,2,0,0,0,0|1,0,1]=4 14440 B13R1.6 C=CCOCCc1cccc(c1)Cl 34a_200000210373_100011713710 [0,2,0,0,0,0|1,0,1]=4 14441 B13R1.6 C=CCOCCc1cccc(c1)Cl 7a_100000754733_100015514636 [0,2,0,0,0,0|1,0,1]=4 14442 B13R1.6 C=CCOCCc1cccc(c1)F 34a_100000763591_100015514636 [0,2,0,0,0,0|1,0,1]=4 14443 B13R1.6 C=CCOCCc1cccc(c1)F 34a_200000210373_100011217235 [0,2,0,0,0,0|1,0,1]=4 14444 B13R1.6 C=CCOCCc1cccc(c1)F 7a_100000763591_100015514636 [0,2,0,0,0,0|1,0,1]=4 14445 B13R1.6 C=CCOCCc1cccc(c1)N 34a_100011996697_100015514636 [0,2,0,0,0,0|1,0,1]=4 14446 B13R1.6 C=CCSCCc1cccc(c1)Br 62a_100000210623_100011740638 [0,2,0,0,0,0|1,0,1]=4 14447 B13R1.6 C=CCSCCc1cccc(c1)Br 62a_100011740638_100000210623 [0,2,0,0,0,0|1,0,1]=4 14448 B13R1.6 C=CCSCCc1cccc(c1)C 62a_100000210623_100011713685 [0,2,0,0,0,0|1,0,1]=4 14449 B13R1.6 C=CCSCCc1cccc(c1)C 62a_100011713685_100000210623 [0,2,0,0,0,0|1,0,1]=4 14450 B13R1.6 C=CCSCCc1cccc(c1)Cl 62a_100000210623_100011713710 [0,2,0,0,0,0|1,0,1]=4 14451 B13R1.6 C=CCSCCc1cccc(c1)Cl 62a_100011713710_100000210623 [0,2,0,0,0,0|1,0,1]=4 14452 B13R1.6 C=CCSCCc1cccc(c1)F 62a_100000210623_100011217235 [0,2,0,0,0,0|1,0,1]=4 14453 B13R1.6 C=CCSCCc1cccc(c1)F 62a_100011217235_100000210623 [0,2,0,0,0,0|1,0,1]=4 14454 B13R1.6 CCCCC=Cc1cccc(c1)Br 271570a_100016275911_100000691529 [0,2,0,0,0,0|1,0,1]=4 14455 B13R1.6 CCCCC=Cc1cccc(c1)C 271570a_100016275911_100011215228 [0,2,0,0,0,0|1,0,1]=4 14456 B13R1.6 CCCCC=Cc1cccc(c1)Cl 271570a_100016275911_100000699651 [0,2,0,0,0,0|1,0,1]=4 14457 B13R1.6 CCCCC=Cc1cccc(c1)F 271570a_100016275911_100000685547 [0,2,0,0,0,0|1,0,1]=4 14458 B13R1.6 CCCCC=Cc1cccc(c1)N 271570a_100016275911_100000210019 [0,2,0,0,0,0|1,0,1]=4 14459 B13R1.6 CCCCC=Cc1cccc(c1)O 271570a_100016275911_100000211634 [0,2,0,0,0,0|1,0,1]=4 14460 B13R1.6 CCCCC=Cc1cccc(c1)[S] 271570a_100016275911_114929384022 [0,2,0,0,0,0|1,0,1]=4 14461 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,2,0,0,0,0|1,0,0]=3 14462 B13R1.6 CCCCCNc1cc(ccn1)F 27a_100000209983_100000764206 [0,2,0,0,0,0|2,0,0]=4 14463 B13R1.6 CCCCCNc1cc[nH]c(=O)c1 27a_100000209983_100000061649 [0,2,0,0,0,0|2,0,0]=4 14464 B13R1.6 CCCCCNc1cccc(c1)Br 34a_100000210019_100000718602 [0,2,0,0,0,0|1,0,0]=3 14465 B13R1.6 CCCCCNc1cccc(c1)C 2230a_100000188690_100000210326 [0,2,0,0,0,0|1,0,0]=3 14466 B13R1.6 CCCCCNc1cccc(c1)C 34a_100000188690_100000718602 [0,2,0,0,0,0|1,0,0]=3 14467 B13R1.6 CCCCCNc1cccc(c1)Cl 34a_100000185859_100000718602 [0,2,0,0,0,0|1,0,0]=3 14468 B13R1.6 CCCCCNc1cccc(c1)F 34a_100000210047_100000718602 [0,2,0,0,0,0|1,0,0]=3 14469 B13R1.6 CCCCCNc1cccc(c1)I 34a_100000211102_100000718602 [0,2,0,0,0,0|1,0,0]=3 14470 B13R1.6 CCCCCNc1cccc(c1)O 34a_100000210217_100000718602 [0,2,0,0,0,0|1,0,0]=3 14471 B13R1.6 CCCCCNc1cccc(n1)F 27a_100000209983_100009815982 [0,2,0,0,0,0|2,0,0]=4 14472 B13R1.6 CCCCCNc1ccnc(c1)C 27a_100000209983_100000758586 [0,2,0,0,0,0|2,0,0]=4 14473 B13R1.6 CCCCCNc1ccnc(c1)F 27a_100000209983_100009816116 [0,2,0,0,0,0|2,0,0]=4 14474 B13R1.6 CCCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000718602 [0,2,0,0,0,0|2,0,0]=4 14475 B13R1.6 CCCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000718602 [0,2,0,0,0,0|2,0,0]=4 14476 B13R1.6 CCCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210326 [0,2,0,0,0,0|2,0,0]=4 14477 B13R1.6 CCCCCOc1cccc(=O)[nH]1 34a_100000033347_100000718602 [0,2,0,0,0,0|2,0,0]=4 14478 B13R1.6 CCCCCOc1cccc(c1)Br 34a_100000210342_100000718602 [0,2,0,0,0,0|1,0,0]=3 14479 B13R1.6 CCCCCOc1cccc(c1)Br 7a_100000210342_100000210326 [0,2,0,0,0,0|1,0,0]=3 14480 B13R1.6 CCCCCOc1cccc(c1)C 34a_100000210337_100000718602 [0,2,0,0,0,0|1,0,0]=3 14481 B13R1.6 CCCCCOc1cccc(c1)C 7a_100000210337_100000210326 [0,2,0,0,0,0|1,0,0]=3 14482 B13R1.6 CCCCCOc1cccc(c1)Cl 34a_100000210295_100000718602 [0,2,0,0,0,0|1,0,0]=3 14483 B13R1.6 CCCCCOc1cccc(c1)Cl 7a_100000210295_100000210326 [0,2,0,0,0,0|1,0,0]=3 14484 B13R1.6 CCCCCOc1cccc(c1)F 34a_100000210426_100000718602 [0,2,0,0,0,0|1,0,0]=3 14485 B13R1.6 CCCCCOc1cccc(c1)F 7a_100000210426_100000210326 [0,2,0,0,0,0|1,0,0]=3 14486 B13R1.6 CCCCCOc1cccc(c1)I 34a_100000211634_100000718602 [0,2,0,0,0,0|1,0,0]=3 14487 B13R1.6 CCCCCOc1cccc(c1)I 7a_100000211634_100000210326 [0,2,0,0,0,0|1,0,0]=3 14488 B13R1.6 CCCCCOc1cccc(c1)N 34a_100000210217_100000718602 [0,2,0,0,0,0|1,0,0]=3 14489 B13R1.6 CCCCCOc1cccc(n1)F 34a_100011432558_100000718602 [0,2,0,0,0,0|2,0,0]=4 14490 B13R1.6 CCCCCOc1ccnc(c1)C 34a_100000688365_100000718602 [0,2,0,0,0,0|2,0,0]=4 14491 B13R1.6 CCCCCOc1ccnc(c1)Cl 34a_100000762945_100000718602 [0,2,0,0,0,0|2,0,0]=4 14492 B13R1.6 CCCCCOc1ccnc(c1)F 34a_100000732698_100000718602 [0,2,0,0,0,0|2,0,0]=4 14493 B13R1.6 CCCCCOc1ccnc(c1)N 34a_100011834064_100000718602 [0,2,0,0,0,0|2,0,0]=4 14494 B13R1.6 CCCCCOc1cncc(c1)Br 34a_100000754920_100000718602 [0,2,0,0,0,0|2,0,0]=4 14495 B13R1.6 CCCCCOc1cncc(c1)Br 7a_100000754920_100000210326 [0,2,0,0,0,0|2,0,0]=4 14496 B13R1.6 CCCCCOc1cncc(c1)C 34a_100011830280_100000718602 [0,2,0,0,0,0|2,0,0]=4 14497 B13R1.6 CCCCCOc1cncc(c1)C 7a_100011830280_100000210326 [0,2,0,0,0,0|2,0,0]=4 14498 B13R1.6 CCCCCOc1cncc(c1)Cl 7a_100000032511_100000210326 [0,2,0,0,0,0|2,0,0]=4 14499 B13R1.6 CCCCCOc1cncc(c1)F 34a_100011830296_100000718602 [0,2,0,0,0,0|2,0,0]=4 14500 B13R1.6 CCCCCOc1cncc(c1)F 7a_100011830296_100000210326 [0,2,0,0,0,0|2,0,0]=4 14501 B13R1.6 CCCCCOc1cncc(c1)N 34a_100011997051_100000718602 [0,2,0,0,0,0|2,0,0]=4 14502 B13R1.6 CCCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210326 [0,2,0,0,0,0|2,0,0]=4 14503 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000210326_100000750283 [0,2,0,0,0,0|2,0,0]=4 14504 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000750283_100000210326 [0,2,0,0,0,0|2,0,0]=4 14505 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100000210326_100010167805 [0,2,0,0,0,0|2,0,0]=4 14506 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210326 [0,2,0,0,0,0|2,0,0]=4 14507 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000210326_100000764206 [0,2,0,0,0,0|2,0,0]=4 14508 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000764206_100000210326 [0,2,0,0,0,0|2,0,0]=4 14509 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100000210326_100009814236 [0,2,0,0,0,0|2,0,0]=4 14510 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100009814236_100000210326 [0,2,0,0,0,0|2,0,0]=4 14511 B13R1.6 CCCCCSc1cc(ccn1)O 62a_100000210326_100000762945 [0,2,0,0,0,0|2,0,0]=4 14512 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100000210326_100009816521 [0,2,0,0,0,0|2,0,0]=4 14513 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210326 [0,2,0,0,0,0|2,0,0]=4 14514 B13R1.6 CCCCCSc1ccc[n+](c1)C 62a_100000210326_100009996589 [0,2,0,0,0,0|2,0,0]=4 14515 B13R1.6 CCCCCSc1ccc[n+](c1)C 62a_100009996589_100000210326 [0,2,0,0,0,0|2,0,0]=4 14516 B13R1.6 CCCCCSc1ccc[n+](c1)[O-] 62a_100000210326_100009815978 [0,2,0,0,0,0|2,0,0]=4 14517 B13R1.6 CCCCCSc1cccc(=O)[nH]1 62a_100000210326_100000752884 [0,2,0,0,0,0|2,0,0]=4 14518 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000210326_100000691529 [0,2,0,0,0,0|1,0,0]=3 14519 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000691529_100000210326 [0,2,0,0,0,0|1,0,0]=3 14520 B13R1.6 CCCCCSc1cccc(c1)C 62a_100000210326_100011215228 [0,2,0,0,0,0|1,0,0]=3 14521 B13R1.6 CCCCCSc1cccc(c1)C 62a_100011215228_100000210326 [0,2,0,0,0,0|1,0,0]=3 14522 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000210326_100000699651 [0,2,0,0,0,0|1,0,0]=3 14523 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000699651_100000210326 [0,2,0,0,0,0|1,0,0]=3 14524 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000210326_100000685547 [0,2,0,0,0,0|1,0,0]=3 14525 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000685547_100000210326 [0,2,0,0,0,0|1,0,0]=3 14526 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210019_100000210326 [0,2,0,0,0,0|1,0,0]=3 14527 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210326_100000210019 [0,2,0,0,0,0|1,0,0]=3 14528 B13R1.6 CCCCCSc1cccc(c1)O 62a_100000210326_100000211634 [0,2,0,0,0,0|1,0,0]=3 14529 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_100000210326_114929384022 [0,2,0,0,0,0|1,0,0]=3 14530 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_114929384022_100000210326 [0,2,0,0,0,0|1,0,0]=3 14531 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000210326_100000684672 [0,2,0,0,0,0|2,0,0]=4 14532 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000684672_100000210326 [0,2,0,0,0,0|2,0,0]=4 14533 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000210326_100000742759 [0,2,0,0,0,0|2,0,0]=4 14534 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000742759_100000210326 [0,2,0,0,0,0|2,0,0]=4 14535 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000051397_100000210326 [0,2,0,0,0,0|2,0,0]=4 14536 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000210326_100000051397 [0,2,0,0,0,0|2,0,0]=4 14537 B13R1.6 CCCCCSc1cccc(n1)F 62a_100000210326_100009815982 [0,2,0,0,0,0|2,0,0]=4 14538 B13R1.6 CCCCCSc1cccc(n1)F 62a_100009815982_100000210326 [0,2,0,0,0,0|2,0,0]=4 14539 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000210326_100000740741 [0,2,0,0,0,0|2,0,0]=4 14540 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000740741_100000210326 [0,2,0,0,0,0|2,0,0]=4 14541 B13R1.6 CCCCCSc1ccnc(c1)Br 62a_100000210326_100009814637 [0,2,0,0,0,0|2,0,0]=4 14542 B13R1.6 CCCCCSc1ccnc(c1)Br 62a_100009814637_100000210326 [0,2,0,0,0,0|2,0,0]=4 14543 B13R1.6 CCCCCSc1ccnc(c1)C 62a_100000210326_100000758586 [0,2,0,0,0,0|2,0,0]=4 14544 B13R1.6 CCCCCSc1ccnc(c1)C 62a_100000758586_100000210326 [0,2,0,0,0,0|2,0,0]=4 14545 B13R1.6 CCCCCSc1ccnc(c1)Cl 62a_100000035001_100000210326 [0,2,0,0,0,0|2,0,0]=4 14546 B13R1.6 CCCCCSc1ccnc(c1)Cl 62a_100000210326_100000035001 [0,2,0,0,0,0|2,0,0]=4 14547 B13R1.6 CCCCCSc1ccnc(c1)F 62a_100000210326_100009816116 [0,2,0,0,0,0|2,0,0]=4 14548 B13R1.6 CCCCCSc1ccnc(c1)F 62a_100009816116_100000210326 [0,2,0,0,0,0|2,0,0]=4 14549 B13R1.6 CCCCCSc1ccnc(c1)N 62a_100000049665_100000210326 [0,2,0,0,0,0|2,0,0]=4 14550 B13R1.6 CCCCCSc1ccnc(c1)N 62a_100000210326_100000049665 [0,2,0,0,0,0|2,0,0]=4 14551 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000210326_100000728054 [0,2,0,0,0,0|2,0,0]=4 14552 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000728054_100000210326 [0,2,0,0,0,0|2,0,0]=4 14553 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000210326_100000760492 [0,2,0,0,0,0|2,0,0]=4 14554 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000760492_100000210326 [0,2,0,0,0,0|2,0,0]=4 14555 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000049639_100000210326 [0,2,0,0,0,0|2,0,0]=4 14556 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000210326_100000049639 [0,2,0,0,0,0|2,0,0]=4 14557 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000210326_100000744099 [0,2,0,0,0,0|2,0,0]=4 14558 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000744099_100000210326 [0,2,0,0,0,0|2,0,0]=4 14559 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000210326_100000687067 [0,2,0,0,0,0|2,0,0]=4 14560 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000687067_100000210326 [0,2,0,0,0,0|2,0,0]=4 14561 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000210326_100000754920 [0,2,0,0,0,0|2,0,0]=4 14562 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000754920_100000210326 [0,2,0,0,0,0|2,0,0]=4 14563 B13R1.6 CCCCNCc1cc(ccn1)Br 2230a_100000102301_100010173614 [0,2,0,0,0,0|2,0,0]=4 14564 B13R1.6 CCCCNCc1cc(ccn1)Br 270004a_100000102301_100009818557 [0,2,0,0,0,0|2,0,0]=4 14565 B13R1.6 CCCCNCc1cc(ccn1)Br 7a_106832991798_100010173614 [0,2,0,0,0,0|2,0,0]=4 14566 B13R1.6 CCCCNCc1cc(ccn1)C 207a_100000102301_100011361488 [0,2,0,0,0,0|2,0,0]=4 14567 B13R1.6 CCCCNCc1cc(ccn1)C 2230a_100000102301_100000718516 [0,2,0,0,0,0|2,0,0]=4 14568 B13R1.6 CCCCNCc1cc(ccn1)C 270004a_100000102301_100011361488 [0,2,0,0,0,0|2,0,0]=4 14569 B13R1.6 CCCCNCc1cc(ccn1)C 7a_106832991798_100000718516 [0,2,0,0,0,0|2,0,0]=4 14570 B13R1.6 CCCCNCc1cc(ccn1)Cl 2230a_100000102301_100016988179 [0,2,0,0,0,0|2,0,0]=4 14571 B13R1.6 CCCCNCc1cc(ccn1)Cl 270004a_100000102301_100011998288 [0,2,0,0,0,0|2,0,0]=4 14572 B13R1.6 CCCCNCc1cc(ccn1)Cl 7a_106832991798_100016988179 [0,2,0,0,0,0|2,0,0]=4 14573 B13R1.6 CCCCNCc1cccc(=O)[nH]1 207a_100000102301_100011935257 [0,2,0,0,0,0|2,0,0]=4 14574 B13R1.6 CCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210211 [0,2,0,0,0,0|2,0,0]=4 14575 B13R1.6 CCCCNCc1cccc(c1)Br 207a_100000102301_100000210085 [0,2,0,0,0,0|1,0,0]=3 14576 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000102301_100000698116 [0,2,0,0,0,0|1,0,0]=3 14577 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000174977_100000210211 [0,2,0,0,0,0|1,0,0]=3 14578 B13R1.6 CCCCNCc1cccc(c1)Br 270004a_100000102301_100000210085 [0,2,0,0,0,0|1,0,0]=3 14579 B13R1.6 CCCCNCc1cccc(c1)Br 34a_100000174977_100000210210 [0,2,0,0,0,0|1,0,0]=3 14580 B13R1.6 CCCCNCc1cccc(c1)Br 7a_106832991798_100000211773 [0,2,0,0,0,0|1,0,0]=3 14581 B13R1.6 CCCCNCc1cccc(c1)C 207a_100000102301_100000211157 [0,2,0,0,0,0|1,0,0]=3 14582 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000102301_100000211840 [0,2,0,0,0,0|1,0,0]=3 14583 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000185548_100000210211 [0,2,0,0,0,0|1,0,0]=3 14584 B13R1.6 CCCCNCc1cccc(c1)C 270004a_100000102301_100000211157 [0,2,0,0,0,0|1,0,0]=3 14585 B13R1.6 CCCCNCc1cccc(c1)C 34a_100000185548_100000210210 [0,2,0,0,0,0|1,0,0]=3 14586 B13R1.6 CCCCNCc1cccc(c1)C 7a_106832991798_100000211840 [0,2,0,0,0,0|1,0,0]=3 14587 B13R1.6 CCCCNCc1cccc(c1)Cl 207a_100000102301_100000210801 [0,2,0,0,0,0|1,0,0]=3 14588 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000102301_100000181238 [0,2,0,0,0,0|1,0,0]=3 14589 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210211 [0,2,0,0,0,0|1,0,0]=3 14590 B13R1.6 CCCCNCc1cccc(c1)Cl 270004a_100000102301_100000210801 [0,2,0,0,0,0|1,0,0]=3 14591 B13R1.6 CCCCNCc1cccc(c1)Cl 34a_100000174878_100000210210 [0,2,0,0,0,0|1,0,0]=3 14592 B13R1.6 CCCCNCc1cccc(c1)Cl 7a_106832991798_100000187163 [0,2,0,0,0,0|1,0,0]=3 14593 B13R1.6 CCCCNCc1cccc(c1)F 207a_100000102301_100000210812 [0,2,0,0,0,0|1,0,0]=3 14594 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000102301_100000230114 [0,2,0,0,0,0|1,0,0]=3 14595 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000174948_100000210211 [0,2,0,0,0,0|1,0,0]=3 14596 B13R1.6 CCCCNCc1cccc(c1)F 270004a_100000102301_100000210812 [0,2,0,0,0,0|1,0,0]=3 14597 B13R1.6 CCCCNCc1cccc(c1)F 34a_100000174948_100000210210 [0,2,0,0,0,0|1,0,0]=3 14598 B13R1.6 CCCCNCc1cccc(c1)F 7a_106832991798_100000230114 [0,2,0,0,0,0|1,0,0]=3 14599 B13R1.6 CCCCNCc1cccc(c1)I 207a_100000102301_100000014684 [0,2,0,0,0,0|1,0,0]=3 14600 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000102301_100011218688 [0,2,0,0,0,0|1,0,0]=3 14601 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000106179_100000210211 [0,2,0,0,0,0|1,0,0]=3 14602 B13R1.6 CCCCNCc1cccc(c1)I 270004a_100000102301_100000014684 [0,2,0,0,0,0|1,0,0]=3 14603 B13R1.6 CCCCNCc1cccc(c1)I 34a_100000106179_100000210210 [0,2,0,0,0,0|1,0,0]=3 14604 B13R1.6 CCCCNCc1cccc(c1)I 7a_106832991798_100011218688 [0,2,0,0,0,0|1,0,0]=3 14605 B13R1.6 CCCCNCc1cccc(c1)O 207a_100000102301_100000188321 [0,2,0,0,0,0|1,0,0]=3 14606 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000102301_100011660834 [0,2,0,0,0,0|1,0,0]=3 14607 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000743036_100000210211 [0,2,0,0,0,0|1,0,0]=3 14608 B13R1.6 CCCCNCc1cccc(c1)O 270004a_100000102301_100000188321 [0,2,0,0,0,0|1,0,0]=3 14609 B13R1.6 CCCCNCc1cccc(c1)O 271570a_203496583355_100015186518 [0,2,0,0,0,0|1,0,0]=3 14610 B13R1.6 CCCCNCc1cccc(c1)O 34a_100000743036_100000210210 [0,2,0,0,0,0|1,0,0]=3 14611 B13R1.6 CCCCNCc1cccc(c1)O 7a_106832991798_100000084143 [0,2,0,0,0,0|1,0,0]=3 14612 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100000102301_100009889011 [0,2,0,0,0,0|2,0,0]=4 14613 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100016987751_100000210211 [0,2,0,0,0,0|2,0,0]=4 14614 B13R1.6 CCCCNCc1cccc(n1)Br 270004a_100000102301_100000688028 [0,2,0,0,0,0|2,0,0]=4 14615 B13R1.6 CCCCNCc1cccc(n1)Br 7a_106832991798_100009889011 [0,2,0,0,0,0|2,0,0]=4 14616 B13R1.6 CCCCNCc1cccc(n1)C 207a_100000102301_100011215050 [0,2,0,0,0,0|2,0,0]=4 14617 B13R1.6 CCCCNCc1cccc(n1)C 2230a_100000102301_100000757606 [0,2,0,0,0,0|2,0,0]=4 14618 B13R1.6 CCCCNCc1cccc(n1)C 270004a_100000102301_100011215050 [0,2,0,0,0,0|2,0,0]=4 14619 B13R1.6 CCCCNCc1cccc(n1)C 34a_100000701342_100000210210 [0,2,0,0,0,0|2,0,0]=4 14620 B13R1.6 CCCCNCc1cccc(n1)C 7a_106832991798_100000757606 [0,2,0,0,0,0|2,0,0]=4 14621 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100000102301_100000086093 [0,2,0,0,0,0|2,0,0]=4 14622 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210211 [0,2,0,0,0,0|2,0,0]=4 14623 B13R1.6 CCCCNCc1cccc(n1)Cl 270004a_100000102301_100011361687 [0,2,0,0,0,0|2,0,0]=4 14624 B13R1.6 CCCCNCc1cccc(n1)Cl 7a_106832991798_100000086093 [0,2,0,0,0,0|2,0,0]=4 14625 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100000102301_100009819644 [0,2,0,0,0,0|2,0,0]=4 14626 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100015188798_100000210211 [0,2,0,0,0,0|2,0,0]=4 14627 B13R1.6 CCCCNCc1cccc(n1)F 270004a_100000102301_100000050434 [0,2,0,0,0,0|2,0,0]=4 14628 B13R1.6 CCCCNCc1cccc(n1)F 34a_100015188798_100000210210 [0,2,0,0,0,0|2,0,0]=4 14629 B13R1.6 CCCCNCc1cccc(n1)F 7a_106832991798_100009819644 [0,2,0,0,0,0|2,0,0]=4 14630 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100000102301_100010243470 [0,2,0,0,0,0|2,0,0]=4 14631 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100025757509_100000210211 [0,2,0,0,0,0|2,0,0]=4 14632 B13R1.6 CCCCNCc1ccnc(c1)Br 270004a_100000102301_100009814634 [0,2,0,0,0,0|2,0,0]=4 14633 B13R1.6 CCCCNCc1ccnc(c1)Br 34a_100025757509_100000210210 [0,2,0,0,0,0|2,0,0]=4 14634 B13R1.6 CCCCNCc1ccnc(c1)Br 7a_106832991798_100010254460 [0,2,0,0,0,0|2,0,0]=4 14635 B13R1.6 CCCCNCc1ccnc(c1)C 207a_100000102301_100011361630 [0,2,0,0,0,0|2,0,0]=4 14636 B13R1.6 CCCCNCc1ccnc(c1)C 2230a_100000102301_200020672517 [0,2,0,0,0,0|2,0,0]=4 14637 B13R1.6 CCCCNCc1ccnc(c1)C 270004a_100000102301_100011361630 [0,2,0,0,0,0|2,0,0]=4 14638 B13R1.6 CCCCNCc1ccnc(c1)C 34a_100011934566_100000210210 [0,2,0,0,0,0|2,0,0]=4 14639 B13R1.6 CCCCNCc1ccnc(c1)C 7a_106832991798_200020672517 [0,2,0,0,0,0|2,0,0]=4 14640 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100000102301_100000764220 [0,2,0,0,0,0|2,0,0]=4 14641 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210211 [0,2,0,0,0,0|2,0,0]=4 14642 B13R1.6 CCCCNCc1ccnc(c1)Cl 270004a_100000102301_100011290808 [0,2,0,0,0,0|2,0,0]=4 14643 B13R1.6 CCCCNCc1ccnc(c1)Cl 34a_100015205668_100000210210 [0,2,0,0,0,0|2,0,0]=4 14644 B13R1.6 CCCCNCc1ccnc(c1)Cl 7a_106832991798_100000764220 [0,2,0,0,0,0|2,0,0]=4 14645 B13R1.6 CCCCNCc1ccnc(c1)F 2230a_100015188774_100000210211 [0,2,0,0,0,0|2,0,0]=4 14646 B13R1.6 CCCCNCc1ccnc(c1)F 270004a_100000102301_100000068331 [0,2,0,0,0,0|2,0,0]=4 14647 B13R1.6 CCCCNCc1ccnc(c1)F 34a_100015188774_100000210210 [0,2,0,0,0,0|2,0,0]=4 14648 B13R1.6 CCCCNCc1ccnc(c1)O 207a_100000102301_100000688113 [0,2,0,0,0,0|2,0,0]=4 14649 B13R1.6 CCCCNCc1cncc(c1)Br 207a_100000102301_100000687066 [0,2,0,0,0,0|2,0,0]=4 14650 B13R1.6 CCCCNCc1cncc(c1)Br 2230a_100000102301_100000738771 [0,2,0,0,0,0|2,0,0]=4 14651 B13R1.6 CCCCNCc1cncc(c1)Br 270004a_100000102301_100000687066 [0,2,0,0,0,0|2,0,0]=4 14652 B13R1.6 CCCCNCc1cncc(c1)Br 7a_106832991798_100000738771 [0,2,0,0,0,0|2,0,0]=4 14653 B13R1.6 CCCCNCc1cncc(c1)C 207a_100000102301_100011998712 [0,2,0,0,0,0|2,0,0]=4 14654 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000102301_100000716715 [0,2,0,0,0,0|2,0,0]=4 14655 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000692839_100000210211 [0,2,0,0,0,0|2,0,0]=4 14656 B13R1.6 CCCCNCc1cncc(c1)C 270004a_100000102301_100011998712 [0,2,0,0,0,0|2,0,0]=4 14657 B13R1.6 CCCCNCc1cncc(c1)C 34a_100000692839_100000210210 [0,2,0,0,0,0|2,0,0]=4 14658 B13R1.6 CCCCNCc1cncc(c1)C 7a_106832991798_100000716715 [0,2,0,0,0,0|2,0,0]=4 14659 B13R1.6 CCCCNCc1cncc(c1)Cl 207a_100000102301_100000088910 [0,2,0,0,0,0|2,0,0]=4 14660 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_100000102301_100016992070 [0,2,0,0,0,0|2,0,0]=4 14661 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210211 [0,2,0,0,0,0|2,0,0]=4 14662 B13R1.6 CCCCNCc1cncc(c1)Cl 270004a_100000102301_100000088910 [0,2,0,0,0,0|2,0,0]=4 14663 B13R1.6 CCCCNCc1cncc(c1)Cl 7a_106832991798_100016992070 [0,2,0,0,0,0|2,0,0]=4 14664 B13R1.6 CCCCNCc1cncc(c1)F 207a_100000102301_100011361476 [0,2,0,0,0,0|2,0,0]=4 14665 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100000102301_100000725299 [0,2,0,0,0,0|2,0,0]=4 14666 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100011962886_100000210211 [0,2,0,0,0,0|2,0,0]=4 14667 B13R1.6 CCCCNCc1cncc(c1)F 270004a_100000102301_100011361476 [0,2,0,0,0,0|2,0,0]=4 14668 B13R1.6 CCCCNCc1cncc(c1)F 34a_100011962886_100000210210 [0,2,0,0,0,0|2,0,0]=4 14669 B13R1.6 CCCCNCc1cncc(c1)F 7a_106832991798_100000725299 [0,2,0,0,0,0|2,0,0]=4 14670 B13R1.6 CCCCNCc1cncc(c1)O 207a_100000102301_100012187055 [0,2,0,0,0,0|2,0,0]=4 14671 B13R1.6 CCCCNCc1cncc(c1)O 270004a_100000102301_100012187055 [0,2,0,0,0,0|2,0,0]=4 14672 B13R1.6 CCCCOCc1cc(ccn1)Br 34a_100000210227_100010173614 [0,2,0,0,0,0|2,0,0]=4 14673 B13R1.6 CCCCOCc1cc(ccn1)Br 7a_100000210227_100010173614 [0,2,0,0,0,0|2,0,0]=4 14674 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100000210227_100000718516 [0,2,0,0,0,0|2,0,0]=4 14675 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100011998357_100000210210 [0,2,0,0,0,0|2,0,0]=4 14676 B13R1.6 CCCCOCc1cc(ccn1)C 7a_100000210227_100000718516 [0,2,0,0,0,0|2,0,0]=4 14677 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000210227_100016988179 [0,2,0,0,0,0|2,0,0]=4 14678 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000748867_100000210210 [0,2,0,0,0,0|2,0,0]=4 14679 B13R1.6 CCCCOCc1cc(ccn1)Cl 7a_100000210227_100016988179 [0,2,0,0,0,0|2,0,0]=4 14680 B13R1.6 CCCCOCc1cc(ccn1)N 34a_100000692640_100000210210 [0,2,0,0,0,0|2,0,0]=4 14681 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210210 [0,2,0,0,0,0|2,0,0]=4 14682 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210211 [0,2,0,0,0,0|2,0,0]=4 14683 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000210227_100000698116 [0,2,0,0,0,0|1,0,0]=3 14684 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000687537_100000210210 [0,2,0,0,0,0|1,0,0]=3 14685 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000210227_100000211773 [0,2,0,0,0,0|1,0,0]=3 14686 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000687537_100000210211 [0,2,0,0,0,0|1,0,0]=3 14687 B13R1.6 CCCCOCc1cccc(c1)C 34a_100000210227_100000211840 [0,2,0,0,0,0|1,0,0]=3 14688 B13R1.6 CCCCOCc1cccc(c1)C 34a_100011217746_100000210210 [0,2,0,0,0,0|1,0,0]=3 14689 B13R1.6 CCCCOCc1cccc(c1)C 7a_100000210227_100000211840 [0,2,0,0,0,0|1,0,0]=3 14690 B13R1.6 CCCCOCc1cccc(c1)C 7a_100011217746_100000210211 [0,2,0,0,0,0|1,0,0]=3 14691 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000210227_100000187163 [0,2,0,0,0,0|1,0,0]=3 14692 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000241301_100000210210 [0,2,0,0,0,0|1,0,0]=3 14693 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000210227_100000187163 [0,2,0,0,0,0|1,0,0]=3 14694 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000241301_100000210211 [0,2,0,0,0,0|1,0,0]=3 14695 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210227_100000187166 [0,2,0,0,0,0|1,0,0]=3 14696 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210976_100000210210 [0,2,0,0,0,0|1,0,0]=3 14697 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210227_100000230114 [0,2,0,0,0,0|1,0,0]=3 14698 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210976_100000210211 [0,2,0,0,0,0|1,0,0]=3 14699 B13R1.6 CCCCOCc1cccc(c1)I 34a_100000210227_100011218688 [0,2,0,0,0,0|1,0,0]=3 14700 B13R1.6 CCCCOCc1cccc(c1)I 34a_100011215336_100000210210 [0,2,0,0,0,0|1,0,0]=3 14701 B13R1.6 CCCCOCc1cccc(c1)I 7a_100000210227_100011218688 [0,2,0,0,0,0|1,0,0]=3 14702 B13R1.6 CCCCOCc1cccc(c1)I 7a_100011215336_100000210211 [0,2,0,0,0,0|1,0,0]=3 14703 B13R1.6 CCCCOCc1cccc(c1)N 34a_100000211919_100000210210 [0,2,0,0,0,0|1,0,0]=3 14704 B13R1.6 CCCCOCc1cccc(c1)O 34a_100000210227_100011660834 [0,2,0,0,0,0|1,0,0]=3 14705 B13R1.6 CCCCOCc1cccc(c1)O 7a_100000210227_100000084143 [0,2,0,0,0,0|1,0,0]=3 14706 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000210227_100009889011 [0,2,0,0,0,0|2,0,0]=4 14707 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000694195_100000210210 [0,2,0,0,0,0|2,0,0]=4 14708 B13R1.6 CCCCOCc1cccc(n1)Br 7a_100000210227_100009889011 [0,2,0,0,0,0|2,0,0]=4 14709 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000210227_100000757606 [0,2,0,0,0,0|2,0,0]=4 14710 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000690600_100000210210 [0,2,0,0,0,0|2,0,0]=4 14711 B13R1.6 CCCCOCc1cccc(n1)C 7a_100000210227_100000757606 [0,2,0,0,0,0|2,0,0]=4 14712 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100000210227_100000086093 [0,2,0,0,0,0|2,0,0]=4 14713 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100011998359_100000210210 [0,2,0,0,0,0|2,0,0]=4 14714 B13R1.6 CCCCOCc1cccc(n1)Cl 7a_100000210227_100000086093 [0,2,0,0,0,0|2,0,0]=4 14715 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000086748_100000210210 [0,2,0,0,0,0|2,0,0]=4 14716 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000210227_100009819644 [0,2,0,0,0,0|2,0,0]=4 14717 B13R1.6 CCCCOCc1cccc(n1)F 7a_100000210227_100009819644 [0,2,0,0,0,0|2,0,0]=4 14718 B13R1.6 CCCCOCc1ccnc(c1)Br 34a_100000210227_100010243470 [0,2,0,0,0,0|2,0,0]=4 14719 B13R1.6 CCCCOCc1ccnc(c1)Br 34a_100009814636_100000210210 [0,2,0,0,0,0|2,0,0]=4 14720 B13R1.6 CCCCOCc1ccnc(c1)Br 7a_100000210227_100010254460 [0,2,0,0,0,0|2,0,0]=4 14721 B13R1.6 CCCCOCc1ccnc(c1)Br 7a_100009814636_100000210211 [0,2,0,0,0,0|2,0,0]=4 14722 B13R1.6 CCCCOCc1ccnc(c1)C 34a_100000210227_200020672517 [0,2,0,0,0,0|2,0,0]=4 14723 B13R1.6 CCCCOCc1ccnc(c1)C 34a_100011998630_100000210210 [0,2,0,0,0,0|2,0,0]=4 14724 B13R1.6 CCCCOCc1ccnc(c1)C 7a_100000210227_200020672517 [0,2,0,0,0,0|2,0,0]=4 14725 B13R1.6 CCCCOCc1ccnc(c1)Cl 34a_100000210227_100000764220 [0,2,0,0,0,0|2,0,0]=4 14726 B13R1.6 CCCCOCc1ccnc(c1)Cl 34a_100000748751_100000210210 [0,2,0,0,0,0|2,0,0]=4 14727 B13R1.6 CCCCOCc1ccnc(c1)Cl 7a_100000210227_100000764220 [0,2,0,0,0,0|2,0,0]=4 14728 B13R1.6 CCCCOCc1ccnc(c1)F 34a_100000082451_100000210210 [0,2,0,0,0,0|2,0,0]=4 14729 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100000210227_100000738771 [0,2,0,0,0,0|2,0,0]=4 14730 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100011259137_100000210210 [0,2,0,0,0,0|2,0,0]=4 14731 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100000210227_100000738771 [0,2,0,0,0,0|2,0,0]=4 14732 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100011259137_100000210211 [0,2,0,0,0,0|2,0,0]=4 14733 B13R1.6 CCCCOCc1cncc(c1)C 34a_100000210227_100000716715 [0,2,0,0,0,0|2,0,0]=4 14734 B13R1.6 CCCCOCc1cncc(c1)C 34a_100011998709_100000210210 [0,2,0,0,0,0|2,0,0]=4 14735 B13R1.6 CCCCOCc1cncc(c1)C 7a_100000210227_100000716715 [0,2,0,0,0,0|2,0,0]=4 14736 B13R1.6 CCCCOCc1cncc(c1)C 7a_100011998709_100000210211 [0,2,0,0,0,0|2,0,0]=4 14737 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000092867_100000210210 [0,2,0,0,0,0|2,0,0]=4 14738 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000210227_100016992070 [0,2,0,0,0,0|2,0,0]=4 14739 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000092867_100000210211 [0,2,0,0,0,0|2,0,0]=4 14740 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000210227_100016992070 [0,2,0,0,0,0|2,0,0]=4 14741 B13R1.6 CCCCOCc1cncc(c1)F 34a_100000210227_100000725299 [0,2,0,0,0,0|2,0,0]=4 14742 B13R1.6 CCCCOCc1cncc(c1)F 34a_100011962875_100000210210 [0,2,0,0,0,0|2,0,0]=4 14743 B13R1.6 CCCCOCc1cncc(c1)F 7a_100000210227_100000725299 [0,2,0,0,0,0|2,0,0]=4 14744 B13R1.6 CCCCOCc1cncc(c1)F 7a_100011962875_100000210211 [0,2,0,0,0,0|2,0,0]=4 14745 B13R1.6 CCCCOCc1cncc(c1)N 34a_100000085308_100000210210 [0,2,0,0,0,0|2,0,0]=4 14746 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100000210211_100010173614 [0,2,0,0,0,0|2,0,0]=4 14747 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100010173614_100000210210 [0,2,0,0,0,0|2,0,0]=4 14748 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000210211_100000718516 [0,2,0,0,0,0|2,0,0]=4 14749 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000718516_100000210210 [0,2,0,0,0,0|2,0,0]=4 14750 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100000210211_100016988179 [0,2,0,0,0,0|2,0,0]=4 14751 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100016988179_100000210210 [0,2,0,0,0,0|2,0,0]=4 14752 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000210211_100000211773 [0,2,0,0,0,0|1,0,0]=3 14753 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000211773_100000210210 [0,2,0,0,0,0|1,0,0]=3 14754 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000210211_100000211840 [0,2,0,0,0,0|1,0,0]=3 14755 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000211840_100000210210 [0,2,0,0,0,0|1,0,0]=3 14756 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000187163_100000210210 [0,2,0,0,0,0|1,0,0]=3 14757 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000210211_100000187163 [0,2,0,0,0,0|1,0,0]=3 14758 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000210211_100000230114 [0,2,0,0,0,0|1,0,0]=3 14759 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000230114_100000210210 [0,2,0,0,0,0|1,0,0]=3 14760 B13R1.6 CCCCSCc1cccc(c1)I 62a_100000210211_100011218688 [0,2,0,0,0,0|1,0,0]=3 14761 B13R1.6 CCCCSCc1cccc(c1)I 62a_100011218688_100000210210 [0,2,0,0,0,0|1,0,0]=3 14762 B13R1.6 CCCCSCc1cccc(c1)O 62a_100000210211_100011660834 [0,2,0,0,0,0|1,0,0]=3 14763 B13R1.6 CCCCSCc1cccc(c1)O 62a_100011660834_100000210210 [0,2,0,0,0,0|1,0,0]=3 14764 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100000210211_100009889011 [0,2,0,0,0,0|2,0,0]=4 14765 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100009889011_100000210210 [0,2,0,0,0,0|2,0,0]=4 14766 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000210211_100000757606 [0,2,0,0,0,0|2,0,0]=4 14767 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000757606_100000210210 [0,2,0,0,0,0|2,0,0]=4 14768 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000086093_100000210210 [0,2,0,0,0,0|2,0,0]=4 14769 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000210211_100000086093 [0,2,0,0,0,0|2,0,0]=4 14770 B13R1.6 CCCCSCc1cccc(n1)F 62a_100000210211_100009819644 [0,2,0,0,0,0|2,0,0]=4 14771 B13R1.6 CCCCSCc1cccc(n1)F 62a_100009819644_100000210210 [0,2,0,0,0,0|2,0,0]=4 14772 B13R1.6 CCCCSCc1ccnc(c1)Br 62a_100000210211_100010243470 [0,2,0,0,0,0|2,0,0]=4 14773 B13R1.6 CCCCSCc1ccnc(c1)Br 62a_100010254460_100000210210 [0,2,0,0,0,0|2,0,0]=4 14774 B13R1.6 CCCCSCc1ccnc(c1)C 62a_100000210211_200020672517 [0,2,0,0,0,0|2,0,0]=4 14775 B13R1.6 CCCCSCc1ccnc(c1)C 62a_200020672517_100000210210 [0,2,0,0,0,0|2,0,0]=4 14776 B13R1.6 CCCCSCc1ccnc(c1)Cl 62a_100000210211_100000764220 [0,2,0,0,0,0|2,0,0]=4 14777 B13R1.6 CCCCSCc1ccnc(c1)Cl 62a_100000764220_100000210210 [0,2,0,0,0,0|2,0,0]=4 14778 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000210211_100000738771 [0,2,0,0,0,0|2,0,0]=4 14779 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000738771_100000210210 [0,2,0,0,0,0|2,0,0]=4 14780 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000210211_100000716715 [0,2,0,0,0,0|2,0,0]=4 14781 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000716715_100000210210 [0,2,0,0,0,0|2,0,0]=4 14782 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100000210211_100016992070 [0,2,0,0,0,0|2,0,0]=4 14783 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100016992070_100000210210 [0,2,0,0,0,0|2,0,0]=4 14784 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000210211_100000725299 [0,2,0,0,0,0|2,0,0]=4 14785 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000725299_100000210210 [0,2,0,0,0,0|2,0,0]=4 14786 B13R1.6 CCCNCCc1cccc(c1)Br 2230a_100011207229_100000210303 [0,2,0,0,0,0|1,0,0]=3 14787 B13R1.6 CCCNCCc1cccc(c1)Br 34a_100011207229_100000210303 [0,2,0,0,0,0|1,0,0]=3 14788 B13R1.6 CCCNCCc1cccc(c1)C 2230a_100000749837_100000210303 [0,2,0,0,0,0|1,0,0]=3 14789 B13R1.6 CCCNCCc1cccc(c1)C 34a_100000749837_100000210303 [0,2,0,0,0,0|1,0,0]=3 14790 B13R1.6 CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210303 [0,2,0,0,0,0|1,0,0]=3 14791 B13R1.6 CCCNCCc1cccc(c1)Cl 34a_100000185263_100000210303 [0,2,0,0,0,0|1,0,0]=3 14792 B13R1.6 CCCNCCc1cccc(c1)F 2230a_100000205154_100000210303 [0,2,0,0,0,0|1,0,0]=3 14793 B13R1.6 CCCNCCc1cccc(c1)F 34a_100000205154_100000210303 [0,2,0,0,0,0|1,0,0]=3 14794 B13R1.6 CCCNCCc1cccc(c1)O 2230a_100000747277_100000210303 [0,2,0,0,0,0|1,0,0]=3 14795 B13R1.6 CCCNCCc1cccc(c1)O 34a_100000747277_100000210303 [0,2,0,0,0,0|1,0,0]=3 14796 B13R1.6 CCCNCCc1cccc(n1)C 2230a_100011824523_100000210303 [0,2,0,0,0,0|2,0,0]=4 14797 B13R1.6 CCCNCCc1cccc(n1)C 34a_100011824523_100000210303 [0,2,0,0,0,0|2,0,0]=4 14798 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100000210258_100011740638 [0,2,0,0,0,0|1,0,0]=3 14799 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100011217444_100000210303 [0,2,0,0,0,0|1,0,0]=3 14800 B13R1.6 CCCOCCc1cccc(c1)Br 7a_100011217444_100000210303 [0,2,0,0,0,0|1,0,0]=3 14801 B13R1.6 CCCOCCc1cccc(c1)C 34a_100000210258_100011713685 [0,2,0,0,0,0|1,0,0]=3 14802 B13R1.6 CCCOCCc1cccc(c1)C 34a_100011217157_100000210303 [0,2,0,0,0,0|1,0,0]=3 14803 B13R1.6 CCCOCCc1cccc(c1)C 7a_100011217157_100000210303 [0,2,0,0,0,0|1,0,0]=3 14804 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000210258_100011713710 [0,2,0,0,0,0|1,0,0]=3 14805 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000754733_100000210303 [0,2,0,0,0,0|1,0,0]=3 14806 B13R1.6 CCCOCCc1cccc(c1)Cl 7a_100000754733_100000210303 [0,2,0,0,0,0|1,0,0]=3 14807 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000210258_100011217235 [0,2,0,0,0,0|1,0,0]=3 14808 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000763591_100000210303 [0,2,0,0,0,0|1,0,0]=3 14809 B13R1.6 CCCOCCc1cccc(c1)F 7a_100000763591_100000210303 [0,2,0,0,0,0|1,0,0]=3 14810 B13R1.6 CCCOCCc1cccc(c1)N 34a_100011996697_100000210303 [0,2,0,0,0,0|1,0,0]=3 14811 B13R1.6 CCCOCCc1cccc(n1)Br 34a_100010221043_100000210303 [0,2,0,0,0,0|2,0,0]=4 14812 B13R1.6 CCCOCCc1cccc(n1)Br 7a_100010221043_100000210303 [0,2,0,0,0,0|2,0,0]=4 14813 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100000210303_100011740638 [0,2,0,0,0,0|1,0,0]=3 14814 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100011740638_100000210303 [0,2,0,0,0,0|1,0,0]=3 14815 B13R1.6 CCCSCCc1cccc(c1)C 62a_100000210303_100011713685 [0,2,0,0,0,0|1,0,0]=3 14816 B13R1.6 CCCSCCc1cccc(c1)C 62a_100011713685_100000210303 [0,2,0,0,0,0|1,0,0]=3 14817 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100000210303_100011713710 [0,2,0,0,0,0|1,0,0]=3 14818 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100011713710_100000210303 [0,2,0,0,0,0|1,0,0]=3 14819 B13R1.6 CCCSCCc1cccc(c1)F 62a_100000210303_100011217235 [0,2,0,0,0,0|1,0,0]=3 14820 B13R1.6 CCCSCCc1cccc(c1)F 62a_100011217235_100000210303 [0,2,0,0,0,0|1,0,0]=3 14821 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100000753791_100000210202 [0,2,0,0,0,0|1,0,0]=3 14822 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100015525214_100011713683 [0,2,0,0,0,0|1,0,0]=3 14823 B13R1.6 CCNCCCc1cccc(c1)Br 34a_100000753791_100000210202 [0,2,0,0,0,0|1,0,0]=3 14824 B13R1.6 CCNCCCc1cccc(c1)C 2230a_103496528808_100000210202 [0,2,0,0,0,0|1,0,0]=3 14825 B13R1.6 CCNCCCc1cccc(c1)C 34a_103496528808_100000210202 [0,2,0,0,0,0|1,0,0]=3 14826 B13R1.6 CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210202 [0,2,0,0,0,0|1,0,0]=3 14827 B13R1.6 CCNCCCc1cccc(c1)Cl 34a_100000704586_100000210202 [0,2,0,0,0,0|1,0,0]=3 14828 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100000754185_100000210202 [0,2,0,0,0,0|1,0,0]=3 14829 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100015525214_200000698031 [0,2,0,0,0,0|1,0,0]=3 14830 B13R1.6 CCNCCCc1cccc(c1)F 34a_100000754185_100000210202 [0,2,0,0,0,0|1,0,0]=3 14831 B13R1.6 CCNCCOc1cccc(c1)Br 2230a_100000743521_100000210202 [0,2,0,0,0,0|2,0,0]=4 14832 B13R1.6 CCNCCOc1cccc(c1)Br 2230a_100015525214_100000183150 [0,2,0,0,0,0|2,0,0]=4 14833 B13R1.6 CCNCCOc1cccc(c1)Br 34a_100000743521_100000210202 [0,2,0,0,0,0|2,0,0]=4 14834 B13R1.6 CCNCCOc1cccc(c1)C 2230a_100015185188_100000210202 [0,2,0,0,0,0|2,0,0]=4 14835 B13R1.6 CCNCCOc1cccc(c1)C 34a_100015185188_100000210202 [0,2,0,0,0,0|2,0,0]=4 14836 B13R1.6 CCNCCOc1cccc(c1)Cl 2230a_100000740232_100000210202 [0,2,0,0,0,0|2,0,0]=4 14837 B13R1.6 CCNCCOc1cccc(c1)Cl 2230a_100015525214_100000181161 [0,2,0,0,0,0|2,0,0]=4 14838 B13R1.6 CCNCCOc1cccc(c1)Cl 34a_100000740232_100000210202 [0,2,0,0,0,0|2,0,0]=4 14839 B13R1.6 CCNCCOc1cccc(c1)F 2230a_100000738948_100000210202 [0,2,0,0,0,0|2,0,0]=4 14840 B13R1.6 CCNCCOc1cccc(c1)F 2230a_100015525214_100000739188 [0,2,0,0,0,0|2,0,0]=4 14841 B13R1.6 CCNCCOc1cccc(c1)F 34a_100000738948_100000210202 [0,2,0,0,0,0|2,0,0]=4 14842 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100011709248_100000210202 [0,2,0,0,0,0|1,0,0]=3 14843 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100121572206_100011713683 [0,2,0,0,0,0|1,0,0]=3 14844 B13R1.6 CCOCCCc1cccc(c1)Br 7a_100011709248_100000210202 [0,2,0,0,0,0|1,0,0]=3 14845 B13R1.6 CCOCCCc1cccc(c1)Cl 34a_100011709246_100000210202 [0,2,0,0,0,0|1,0,0]=3 14846 B13R1.6 CCOCCCc1cccc(c1)Cl 7a_100011709246_100000210202 [0,2,0,0,0,0|1,0,0]=3 14847 B13R1.6 CCOCCCc1cccc(c1)F 34a_100121572206_200000698031 [0,2,0,0,0,0|1,0,0]=3 14848 B13R1.6 CCOCCCc1cccc(c1)N 34a_200000698965_100000210202 [0,2,0,0,0,0|1,0,0]=3 14849 B13R1.6 CCOCCCc1cccc(c1)N 7a_200000698965_100000210202 [0,2,0,0,0,0|1,0,0]=3 14850 B13R1.6 CCOCCCc1cccc(n1)C 34a_100000211354_100000210202 [0,2,0,0,0,0|2,0,0]=4 14851 B13R1.6 CCOCCNc1cccc(c1)Br 34a_100000210019_100000210147 [0,2,0,0,0,0|2,0,0]=4 14852 B13R1.6 CCOCCNc1cccc(c1)C 2230a_100000188690_100011215890 [0,2,0,0,0,0|2,0,0]=4 14853 B13R1.6 CCOCCNc1cccc(c1)C 34a_100000188690_100000210147 [0,2,0,0,0,0|2,0,0]=4 14854 B13R1.6 CCOCCNc1cccc(c1)Cl 34a_100000185859_100000210147 [0,2,0,0,0,0|2,0,0]=4 14855 B13R1.6 CCOCCNc1cccc(c1)F 34a_100000210047_100000210147 [0,2,0,0,0,0|2,0,0]=4 14856 B13R1.6 CCOCCNc1cccc(c1)I 34a_100000211102_100000210147 [0,2,0,0,0,0|2,0,0]=4 14857 B13R1.6 CCOCCNc1cccc(c1)O 34a_100000210217_100000210147 [0,2,0,0,0,0|2,0,0]=4 14858 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100000210342_100000210147 [0,2,0,0,0,0|2,0,0]=4 14859 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100000757546_100000210202 [0,2,0,0,0,0|2,0,0]=4 14860 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100121572206_100000183150 [0,2,0,0,0,0|2,0,0]=4 14861 B13R1.6 CCOCCOc1cccc(c1)Br 7a_100000210342_100011215890 [0,2,0,0,0,0|2,0,0]=4 14862 B13R1.6 CCOCCOc1cccc(c1)Br 7a_100000757546_100000210202 [0,2,0,0,0,0|2,0,0]=4 14863 B13R1.6 CCOCCOc1cccc(c1)C 34a_100000210337_100000210147 [0,2,0,0,0,0|2,0,0]=4 14864 B13R1.6 CCOCCOc1cccc(c1)C 34a_200011215094_100000210202 [0,2,0,0,0,0|2,0,0]=4 14865 B13R1.6 CCOCCOc1cccc(c1)C 7a_100000210337_100011215890 [0,2,0,0,0,0|2,0,0]=4 14866 B13R1.6 CCOCCOc1cccc(c1)C 7a_200011215094_100000210202 [0,2,0,0,0,0|2,0,0]=4 14867 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100000210295_100000210147 [0,2,0,0,0,0|2,0,0]=4 14868 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100000230539_100000210202 [0,2,0,0,0,0|2,0,0]=4 14869 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100121572206_100000181161 [0,2,0,0,0,0|2,0,0]=4 14870 B13R1.6 CCOCCOc1cccc(c1)Cl 7a_100000210295_100011215890 [0,2,0,0,0,0|2,0,0]=4 14871 B13R1.6 CCOCCOc1cccc(c1)Cl 7a_100000230539_100000210202 [0,2,0,0,0,0|2,0,0]=4 14872 B13R1.6 CCOCCOc1cccc(c1)F 34a_100000210426_100000210147 [0,2,0,0,0,0|2,0,0]=4 14873 B13R1.6 CCOCCOc1cccc(c1)F 34a_100121572206_100000739188 [0,2,0,0,0,0|2,0,0]=4 14874 B13R1.6 CCOCCOc1cccc(c1)F 7a_100000210426_100011215890 [0,2,0,0,0,0|2,0,0]=4 14875 B13R1.6 CCOCCOc1cccc(c1)I 34a_100000211634_100000210147 [0,2,0,0,0,0|2,0,0]=4 14876 B13R1.6 CCOCCOc1cccc(c1)I 7a_100000211634_100011215890 [0,2,0,0,0,0|2,0,0]=4 14877 B13R1.6 CCOCCOc1cccc(c1)N 34a_100000210217_100000210147 [0,2,0,0,0,0|2,0,0]=4 14878 B13R1.6 CCOCCOc1cccc(c1)N 34a_100011232151_100000210202 [0,2,0,0,0,0|2,0,0]=4 14879 B13R1.6 CCOCCSc1cccc(c1)Br 62a_100000210147_100000691529 [0,2,0,0,0,0|2,0,0]=4 14880 B13R1.6 CCOCCSc1cccc(c1)Br 62a_100000691529_100011215890 [0,2,0,0,0,0|2,0,0]=4 14881 B13R1.6 CCOCCSc1cccc(c1)Br 7a_200011756134_100000210202 [0,2,0,0,0,0|2,0,0]=4 14882 B13R1.6 CCOCCSc1cccc(c1)C 34a_200011432187_100000210202 [0,2,0,0,0,0|2,0,0]=4 14883 B13R1.6 CCOCCSc1cccc(c1)C 62a_100000210147_100011215228 [0,2,0,0,0,0|2,0,0]=4 14884 B13R1.6 CCOCCSc1cccc(c1)C 62a_100011215228_100011215890 [0,2,0,0,0,0|2,0,0]=4 14885 B13R1.6 CCOCCSc1cccc(c1)C 7a_200011432187_100000210202 [0,2,0,0,0,0|2,0,0]=4 14886 B13R1.6 CCOCCSc1cccc(c1)Cl 34a_200011721761_100000210202 [0,2,0,0,0,0|2,0,0]=4 14887 B13R1.6 CCOCCSc1cccc(c1)Cl 62a_100000210147_100000699651 [0,2,0,0,0,0|2,0,0]=4 14888 B13R1.6 CCOCCSc1cccc(c1)Cl 62a_100000699651_100011215890 [0,2,0,0,0,0|2,0,0]=4 14889 B13R1.6 CCOCCSc1cccc(c1)Cl 7a_200011721761_100000210202 [0,2,0,0,0,0|2,0,0]=4 14890 B13R1.6 CCOCCSc1cccc(c1)F 34a_200011996949_100000210202 [0,2,0,0,0,0|2,0,0]=4 14891 B13R1.6 CCOCCSc1cccc(c1)F 62a_100000210147_100000685547 [0,2,0,0,0,0|2,0,0]=4 14892 B13R1.6 CCOCCSc1cccc(c1)F 62a_100000685547_100011215890 [0,2,0,0,0,0|2,0,0]=4 14893 B13R1.6 CCOCCSc1cccc(c1)F 7a_200011996949_100000210202 [0,2,0,0,0,0|2,0,0]=4 14894 B13R1.6 CCOCCSc1cccc(c1)N 62a_100000210019_100011215890 [0,2,0,0,0,0|2,0,0]=4 14895 B13R1.6 CCOCCSc1cccc(c1)N 62a_100000210147_100000210019 [0,2,0,0,0,0|2,0,0]=4 14896 B13R1.6 CCOCCSc1cccc(c1)O 62a_100000210147_100000211634 [0,2,0,0,0,0|2,0,0]=4 14897 B13R1.6 CCOCCSc1cccc(c1)[S] 62a_100000210147_114929384022 [0,2,0,0,0,0|2,0,0]=4 14898 B13R1.6 CCOCCSc1cccc(c1)[S] 62a_114929384022_100011215890 [0,2,0,0,0,0|2,0,0]=4 14899 B13R1.6 CCOCSCc1cccc(c1)Br 62a_100000211773_100000739092 [0,2,0,0,0,0|2,0,0]=4 14900 B13R1.6 CCOCSCc1cccc(c1)Br 62a_100000739092_100000211773 [0,2,0,0,0,0|2,0,0]=4 14901 B13R1.6 CCOCSCc1cccc(c1)C 62a_100000211840_100000739092 [0,2,0,0,0,0|2,0,0]=4 14902 B13R1.6 CCOCSCc1cccc(c1)C 62a_100000739092_100000211840 [0,2,0,0,0,0|2,0,0]=4 14903 B13R1.6 CCOCSCc1cccc(c1)Cl 62a_100000187163_100000739092 [0,2,0,0,0,0|2,0,0]=4 14904 B13R1.6 CCOCSCc1cccc(c1)Cl 62a_100000739092_100000187163 [0,2,0,0,0,0|2,0,0]=4 14905 B13R1.6 CCOCSCc1cccc(c1)F 62a_100000230114_100000739092 [0,2,0,0,0,0|2,0,0]=4 14906 B13R1.6 CCOCSCc1cccc(c1)F 62a_100000739092_100000230114 [0,2,0,0,0,0|2,0,0]=4 14907 B13R1.6 CCOCSCc1cccc(c1)I 62a_100000739092_100011218688 [0,2,0,0,0,0|2,0,0]=4 14908 B13R1.6 CCOCSCc1cccc(c1)I 62a_100011218688_100000739092 [0,2,0,0,0,0|2,0,0]=4 14909 B13R1.6 CCOCSCc1cccc(c1)O 62a_100000739092_100011660834 [0,2,0,0,0,0|2,0,0]=4 14910 B13R1.6 CCOCSCc1cccc(c1)O 62a_100011660834_100000739092 [0,2,0,0,0,0|2,0,0]=4 14911 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100000210202_100011713683 [0,2,0,0,0,0|1,0,0]=3 14912 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100011713683_100000210202 [0,2,0,0,0,0|1,0,0]=3 14913 B13R1.6 CCSCCCc1cccc(c1)F 62a_100000210202_200000698031 [0,2,0,0,0,0|1,0,0]=3 14914 B13R1.6 CCSCCCc1cccc(c1)F 62a_200000698031_100000210202 [0,2,0,0,0,0|1,0,0]=3 14915 B13R1.6 CCSCCNc1cccc(c1)Br 34a_100000210019_100000757381 [0,2,0,0,0,0|2,0,0]=4 14916 B13R1.6 CCSCCNc1cccc(c1)C 2230a_100000188690_100000757381 [0,2,0,0,0,0|2,0,0]=4 14917 B13R1.6 CCSCCNc1cccc(c1)C 34a_100000188690_100000757381 [0,2,0,0,0,0|2,0,0]=4 14918 B13R1.6 CCSCCNc1cccc(c1)Cl 34a_100000185859_100000757381 [0,2,0,0,0,0|2,0,0]=4 14919 B13R1.6 CCSCCNc1cccc(c1)F 34a_100000210047_100000757381 [0,2,0,0,0,0|2,0,0]=4 14920 B13R1.6 CCSCCNc1cccc(c1)I 34a_100000211102_100000757381 [0,2,0,0,0,0|2,0,0]=4 14921 B13R1.6 CCSCCNc1cccc(c1)O 34a_100000210217_100000757381 [0,2,0,0,0,0|2,0,0]=4 14922 B13R1.6 CCSCCOc1cccc(c1)Br 34a_100000210342_100000757381 [0,2,0,0,0,0|2,0,0]=4 14923 B13R1.6 CCSCCOc1cccc(c1)Br 62a_100000183150_100000210202 [0,2,0,0,0,0|2,0,0]=4 14924 B13R1.6 CCSCCOc1cccc(c1)Br 62a_100000210202_100000183150 [0,2,0,0,0,0|2,0,0]=4 14925 B13R1.6 CCSCCOc1cccc(c1)Br 7a_100000210342_100000757381 [0,2,0,0,0,0|2,0,0]=4 14926 B13R1.6 CCSCCOc1cccc(c1)C 34a_100000210337_100000757381 [0,2,0,0,0,0|2,0,0]=4 14927 B13R1.6 CCSCCOc1cccc(c1)C 7a_100000210337_100000757381 [0,2,0,0,0,0|2,0,0]=4 14928 B13R1.6 CCSCCOc1cccc(c1)Cl 34a_100000210295_100000757381 [0,2,0,0,0,0|2,0,0]=4 14929 B13R1.6 CCSCCOc1cccc(c1)Cl 62a_100000181161_100000210202 [0,2,0,0,0,0|2,0,0]=4 14930 B13R1.6 CCSCCOc1cccc(c1)Cl 62a_100000210202_100000181161 [0,2,0,0,0,0|2,0,0]=4 14931 B13R1.6 CCSCCOc1cccc(c1)Cl 7a_100000210295_100000757381 [0,2,0,0,0,0|2,0,0]=4 14932 B13R1.6 CCSCCOc1cccc(c1)F 34a_100000210426_100000757381 [0,2,0,0,0,0|2,0,0]=4 14933 B13R1.6 CCSCCOc1cccc(c1)F 62a_100000210202_100000739188 [0,2,0,0,0,0|2,0,0]=4 14934 B13R1.6 CCSCCOc1cccc(c1)F 62a_100000739188_100000210202 [0,2,0,0,0,0|2,0,0]=4 14935 B13R1.6 CCSCCOc1cccc(c1)F 7a_100000210426_100000757381 [0,2,0,0,0,0|2,0,0]=4 14936 B13R1.6 CCSCCOc1cccc(c1)I 34a_100000211634_100000757381 [0,2,0,0,0,0|2,0,0]=4 14937 B13R1.6 CCSCCOc1cccc(c1)I 7a_100000211634_100000757381 [0,2,0,0,0,0|2,0,0]=4 14938 B13R1.6 CCSCCOc1cccc(c1)N 34a_100000210217_100000757381 [0,2,0,0,0,0|2,0,0]=4 14939 B13R1.6 CCSCCSc1cccc(c1)Br 62a_100000691529_100000757381 [0,2,0,0,0,0|2,0,0]=4 14940 B13R1.6 CCSCCSc1cccc(c1)Br 62a_100000757381_100000691529 [0,2,0,0,0,0|2,0,0]=4 14941 B13R1.6 CCSCCSc1cccc(c1)C 62a_100000757381_100011215228 [0,2,0,0,0,0|2,0,0]=4 14942 B13R1.6 CCSCCSc1cccc(c1)C 62a_100011215228_100000757381 [0,2,0,0,0,0|2,0,0]=4 14943 B13R1.6 CCSCCSc1cccc(c1)Cl 62a_100000699651_100000757381 [0,2,0,0,0,0|2,0,0]=4 14944 B13R1.6 CCSCCSc1cccc(c1)Cl 62a_100000757381_100000699651 [0,2,0,0,0,0|2,0,0]=4 14945 B13R1.6 CCSCCSc1cccc(c1)F 62a_100000685547_100000757381 [0,2,0,0,0,0|2,0,0]=4 14946 B13R1.6 CCSCCSc1cccc(c1)F 62a_100000757381_100000685547 [0,2,0,0,0,0|2,0,0]=4 14947 B13R1.6 CCSCCSc1cccc(c1)N 62a_100000210019_100000757381 [0,2,0,0,0,0|2,0,0]=4 14948 B13R1.6 CCSCCSc1cccc(c1)N 62a_100000757381_100000210019 [0,2,0,0,0,0|2,0,0]=4 14949 B13R1.6 CCSCCSc1cccc(c1)O 62a_100000757381_100000211634 [0,2,0,0,0,0|2,0,0]=4 14950 B13R1.6 CCSCCSc1cccc(c1)[S] 62a_100000757381_114929384022 [0,2,0,0,0,0|2,0,0]=4 14951 B13R1.6 CCSCCSc1cccc(c1)[S] 62a_114929384022_100000757381 [0,2,0,0,0,0|2,0,0]=4 14952 B13R1.6 CNCCCOc1cccc(c1)C 2230a_106832991635_100000212303 [0,2,0,0,0,0|1,0,0]=3 14953 B13R1.6 CNCCCOc1cccc(c1)C 34a_100102657272_100000212303 [0,2,0,0,0,0|1,0,0]=3 14954 B13R1.6 CNCCCOc1cccc(c1)C 7a_106832991635_100000212303 [0,2,0,0,0,0|1,0,0]=3 14955 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_100011220311_200000210301 [0,2,0,0,0,0|1,0,0]=3 14956 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_106832991635_100000742658 [0,2,0,0,0,0|1,0,0]=3 14957 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100011220311_200000210301 [0,2,0,0,0,0|1,0,0]=3 14958 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100102657272_100000742658 [0,2,0,0,0,0|1,0,0]=3 14959 B13R1.6 CNCCCOc1cccc(c1)Cl 7a_106832991635_100000742658 [0,2,0,0,0,0|1,0,0]=3 14960 B13R1.6 CNCCCOc1cccc(c1)F 2230a_100102661586_200000210301 [0,2,0,0,0,0|1,0,0]=3 14961 B13R1.6 CNCCCOc1cccc(c1)F 34a_100102661586_200000210301 [0,2,0,0,0,0|1,0,0]=3 14962 B13R1.6 CNCCSCc1cccc(c1)Cl 2230a_200011225440_200000210301 [0,2,0,0,0,0|1,0,0]=3 14963 B13R1.6 CNCCSCc1cccc(c1)Cl 34a_200011225440_200000210301 [0,2,0,0,0,0|1,0,0]=3 14964 B13R1.6 CNCCSCc1cccc(c1)Cl 7a_200011225440_200000210301 [0,2,0,0,0,0|1,0,0]=3 14965 B13R1.6 COCCCNc1cccc(c1)Br 34a_100000210019_100000740836 [0,2,0,0,0,0|2,0,0]=4 14966 B13R1.6 COCCCNc1cccc(c1)C 2230a_100000188690_100000740836 [0,2,0,0,0,0|2,0,0]=4 14967 B13R1.6 COCCCNc1cccc(c1)C 34a_100000188690_100000740836 [0,2,0,0,0,0|2,0,0]=4 14968 B13R1.6 COCCCNc1cccc(c1)Cl 34a_100000185859_100000740836 [0,2,0,0,0,0|2,0,0]=4 14969 B13R1.6 COCCCNc1cccc(c1)F 34a_100000210047_100000740836 [0,2,0,0,0,0|2,0,0]=4 14970 B13R1.6 COCCCNc1cccc(c1)I 34a_100000211102_100000740836 [0,2,0,0,0,0|2,0,0]=4 14971 B13R1.6 COCCCNc1cccc(c1)O 34a_100000210217_100000740836 [0,2,0,0,0,0|2,0,0]=4 14972 B13R1.6 COCCCOc1cccc(c1)Br 34a_100000210342_100000740836 [0,2,0,0,0,0|2,0,0]=4 14973 B13R1.6 COCCCOc1cccc(c1)Br 7a_100000210342_100000740836 [0,2,0,0,0,0|2,0,0]=4 14974 B13R1.6 COCCCOc1cccc(c1)C 34a_100000210337_100000740836 [0,2,0,0,0,0|2,0,0]=4 14975 B13R1.6 COCCCOc1cccc(c1)C 34a_100138415774_100000212303 [0,2,0,0,0,0|2,0,0]=4 14976 B13R1.6 COCCCOc1cccc(c1)C 7a_100000210337_100000740836 [0,2,0,0,0,0|2,0,0]=4 14977 B13R1.6 COCCCOc1cccc(c1)Cl 34a_100000210295_100000740836 [0,2,0,0,0,0|2,0,0]=4 14978 B13R1.6 COCCCOc1cccc(c1)Cl 34a_100138415774_100000742658 [0,2,0,0,0,0|2,0,0]=4 14979 B13R1.6 COCCCOc1cccc(c1)Cl 7a_100000210295_100000740836 [0,2,0,0,0,0|2,0,0]=4 14980 B13R1.6 COCCCOc1cccc(c1)F 34a_100000210426_100000740836 [0,2,0,0,0,0|2,0,0]=4 14981 B13R1.6 COCCCOc1cccc(c1)F 34a_200011305857_200000210301 [0,2,0,0,0,0|2,0,0]=4 14982 B13R1.6 COCCCOc1cccc(c1)F 7a_100000210426_100000740836 [0,2,0,0,0,0|2,0,0]=4 14983 B13R1.6 COCCCOc1cccc(c1)F 7a_200011305857_200000210301 [0,2,0,0,0,0|2,0,0]=4 14984 B13R1.6 COCCCOc1cccc(c1)I 34a_100000211634_100000740836 [0,2,0,0,0,0|2,0,0]=4 14985 B13R1.6 COCCCOc1cccc(c1)I 7a_100000211634_100000740836 [0,2,0,0,0,0|2,0,0]=4 14986 B13R1.6 COCCCOc1cccc(c1)N 34a_100000210217_100000740836 [0,2,0,0,0,0|2,0,0]=4 14987 B13R1.6 COCCCSc1cccc(c1)Br 62a_100000691529_100000709357 [0,2,0,0,0,0|2,0,0]=4 14988 B13R1.6 COCCCSc1cccc(c1)Br 62a_100000709357_100000691529 [0,2,0,0,0,0|2,0,0]=4 14989 B13R1.6 COCCCSc1cccc(c1)C 62a_100000709357_100011215228 [0,2,0,0,0,0|2,0,0]=4 14990 B13R1.6 COCCCSc1cccc(c1)C 62a_100011215228_100000709357 [0,2,0,0,0,0|2,0,0]=4 14991 B13R1.6 COCCCSc1cccc(c1)Cl 62a_100000699651_100000709357 [0,2,0,0,0,0|2,0,0]=4 14992 B13R1.6 COCCCSc1cccc(c1)Cl 62a_100000709357_100000699651 [0,2,0,0,0,0|2,0,0]=4 14993 B13R1.6 COCCCSc1cccc(c1)F 62a_100000685547_100000709357 [0,2,0,0,0,0|2,0,0]=4 14994 B13R1.6 COCCCSc1cccc(c1)F 62a_100000709357_100000685547 [0,2,0,0,0,0|2,0,0]=4 14995 B13R1.6 COCCCSc1cccc(c1)N 62a_100000210019_100000709357 [0,2,0,0,0,0|2,0,0]=4 14996 B13R1.6 COCCCSc1cccc(c1)N 62a_100000709357_100000210019 [0,2,0,0,0,0|2,0,0]=4 14997 B13R1.6 COCCCSc1cccc(c1)O 62a_100000709357_100000211634 [0,2,0,0,0,0|2,0,0]=4 14998 B13R1.6 COCCCSc1cccc(c1)[S] 62a_100000709357_114929384022 [0,2,0,0,0,0|2,0,0]=4 14999 B13R1.6 COCCCSc1cccc(c1)[S] 62a_114929384022_100000709357 [0,2,0,0,0,0|2,0,0]=4 15000 B13R1.6 COCCNCc1cccc(c1)Br 207a_100000209980_100000210085 [0,2,0,0,0,0|2,0,0]=4 15001 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000174977_100011201679 [0,2,0,0,0,0|2,0,0]=4 15002 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000209980_100000698116 [0,2,0,0,0,0|2,0,0]=4 15003 B13R1.6 COCCNCc1cccc(c1)Br 270004a_100000209980_100000210085 [0,2,0,0,0,0|2,0,0]=4 15004 B13R1.6 COCCNCc1cccc(c1)Br 34a_100000174977_100011201679 [0,2,0,0,0,0|2,0,0]=4 15005 B13R1.6 COCCNCc1cccc(c1)C 207a_100000209980_100000211157 [0,2,0,0,0,0|2,0,0]=4 15006 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000185548_100011201679 [0,2,0,0,0,0|2,0,0]=4 15007 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000209980_100000211840 [0,2,0,0,0,0|2,0,0]=4 15008 B13R1.6 COCCNCc1cccc(c1)C 270004a_100000209980_100000211157 [0,2,0,0,0,0|2,0,0]=4 15009 B13R1.6 COCCNCc1cccc(c1)C 34a_100000185548_100011201679 [0,2,0,0,0,0|2,0,0]=4 15010 B13R1.6 COCCNCc1cccc(c1)Cl 207a_100000209980_100000210801 [0,2,0,0,0,0|2,0,0]=4 15011 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000174878_100011201679 [0,2,0,0,0,0|2,0,0]=4 15012 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000209980_100000181238 [0,2,0,0,0,0|2,0,0]=4 15013 B13R1.6 COCCNCc1cccc(c1)Cl 270004a_100000209980_100000210801 [0,2,0,0,0,0|2,0,0]=4 15014 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000174878_100011201679 [0,2,0,0,0,0|2,0,0]=4 15015 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 15016 B13R1.6 COCCNCc1cccc(c1)F 207a_100000209980_100000210812 [0,2,0,0,0,0|2,0,0]=4 15017 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000174948_100011201679 [0,2,0,0,0,0|2,0,0]=4 15018 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000209980_100000230114 [0,2,0,0,0,0|2,0,0]=4 15019 B13R1.6 COCCNCc1cccc(c1)F 270004a_100000209980_100000210812 [0,2,0,0,0,0|2,0,0]=4 15020 B13R1.6 COCCNCc1cccc(c1)F 34a_100000174948_100011201679 [0,2,0,0,0,0|2,0,0]=4 15021 B13R1.6 COCCNCc1cccc(c1)I 207a_100000209980_100000014684 [0,2,0,0,0,0|2,0,0]=4 15022 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000106179_100011201679 [0,2,0,0,0,0|2,0,0]=4 15023 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000209980_100011218688 [0,2,0,0,0,0|2,0,0]=4 15024 B13R1.6 COCCNCc1cccc(c1)I 270004a_100000209980_100000014684 [0,2,0,0,0,0|2,0,0]=4 15025 B13R1.6 COCCNCc1cccc(c1)I 34a_100000106179_100011201679 [0,2,0,0,0,0|2,0,0]=4 15026 B13R1.6 COCCNCc1cccc(c1)O 207a_100000209980_100000188321 [0,2,0,0,0,0|2,0,0]=4 15027 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000209980_100011660834 [0,2,0,0,0,0|2,0,0]=4 15028 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000743036_100011201679 [0,2,0,0,0,0|2,0,0]=4 15029 B13R1.6 COCCNCc1cccc(c1)O 270004a_100000209980_100000188321 [0,2,0,0,0,0|2,0,0]=4 15030 B13R1.6 COCCNCc1cccc(c1)O 34a_100000743036_100011201679 [0,2,0,0,0,0|2,0,0]=4 15031 B13R1.6 COCCOCc1cccc(c1)Br 34a_100000210237_100000698116 [0,2,0,0,0,0|2,0,0]=4 15032 B13R1.6 COCCOCc1cccc(c1)Br 34a_100000687537_100011201679 [0,2,0,0,0,0|2,0,0]=4 15033 B13R1.6 COCCOCc1cccc(c1)Br 7a_100000687537_100000233755 [0,2,0,0,0,0|2,0,0]=4 15034 B13R1.6 COCCOCc1cccc(c1)C 34a_100000210237_100000211840 [0,2,0,0,0,0|2,0,0]=4 15035 B13R1.6 COCCOCc1cccc(c1)C 34a_100011217746_100011201679 [0,2,0,0,0,0|2,0,0]=4 15036 B13R1.6 COCCOCc1cccc(c1)C 7a_100011217746_100000233755 [0,2,0,0,0,0|2,0,0]=4 15037 B13R1.6 COCCOCc1cccc(c1)Cl 34a_100000210237_100000187163 [0,2,0,0,0,0|2,0,0]=4 15038 B13R1.6 COCCOCc1cccc(c1)Cl 34a_100000241301_100011201679 [0,2,0,0,0,0|2,0,0]=4 15039 B13R1.6 COCCOCc1cccc(c1)Cl 7a_100000241301_100000233755 [0,2,0,0,0,0|2,0,0]=4 15040 B13R1.6 COCCOCc1cccc(c1)F 34a_100000210237_100000187166 [0,2,0,0,0,0|2,0,0]=4 15041 B13R1.6 COCCOCc1cccc(c1)F 34a_100000210976_100011201679 [0,2,0,0,0,0|2,0,0]=4 15042 B13R1.6 COCCOCc1cccc(c1)F 7a_100000210976_100000233755 [0,2,0,0,0,0|2,0,0]=4 15043 B13R1.6 COCCOCc1cccc(c1)I 34a_100000210237_100011218688 [0,2,0,0,0,0|2,0,0]=4 15044 B13R1.6 COCCOCc1cccc(c1)I 34a_100011215336_100011201679 [0,2,0,0,0,0|2,0,0]=4 15045 B13R1.6 COCCOCc1cccc(c1)I 7a_100011215336_100000233755 [0,2,0,0,0,0|2,0,0]=4 15046 B13R1.6 COCCOCc1cccc(c1)N 34a_100000211919_100011201679 [0,2,0,0,0,0|2,0,0]=4 15047 B13R1.6 COCCOCc1cccc(c1)O 271570a_203496583355_100000692933 [0,2,0,0,0,0|2,0,0]=4 15048 B13R1.6 COCCOCc1cccc(c1)O 34a_100000210237_100011660834 [0,2,0,0,0,0|2,0,0]=4 15049 B13R1.6 COCCSCc1cccc(c1)Br 62a_100000211773_100000233755 [0,2,0,0,0,0|2,0,0]=4 15050 B13R1.6 COCCSCc1cccc(c1)Br 62a_100000233755_100000211773 [0,2,0,0,0,0|2,0,0]=4 15051 B13R1.6 COCCSCc1cccc(c1)C 34a_100011212950_200000210301 [0,2,0,0,0,0|2,0,0]=4 15052 B13R1.6 COCCSCc1cccc(c1)C 62a_100000211840_100000233755 [0,2,0,0,0,0|2,0,0]=4 15053 B13R1.6 COCCSCc1cccc(c1)C 62a_100000233755_100000211840 [0,2,0,0,0,0|2,0,0]=4 15054 B13R1.6 COCCSCc1cccc(c1)C 7a_100011212950_200000210301 [0,2,0,0,0,0|2,0,0]=4 15055 B13R1.6 COCCSCc1cccc(c1)Cl 62a_100000187163_100000233755 [0,2,0,0,0,0|2,0,0]=4 15056 B13R1.6 COCCSCc1cccc(c1)Cl 62a_100000233755_100000187163 [0,2,0,0,0,0|2,0,0]=4 15057 B13R1.6 COCCSCc1cccc(c1)F 34a_100011212928_200000210301 [0,2,0,0,0,0|2,0,0]=4 15058 B13R1.6 COCCSCc1cccc(c1)F 62a_100000230114_100000233755 [0,2,0,0,0,0|2,0,0]=4 15059 B13R1.6 COCCSCc1cccc(c1)F 62a_100000233755_100000230114 [0,2,0,0,0,0|2,0,0]=4 15060 B13R1.6 COCCSCc1cccc(c1)F 7a_100011212928_200000210301 [0,2,0,0,0,0|2,0,0]=4 15061 B13R1.6 COCCSCc1cccc(c1)I 62a_100000233755_100011218688 [0,2,0,0,0,0|2,0,0]=4 15062 B13R1.6 COCCSCc1cccc(c1)I 62a_100011218688_100000233755 [0,2,0,0,0,0|2,0,0]=4 15063 B13R1.6 COCCSCc1cccc(c1)O 62a_100000233755_100011660834 [0,2,0,0,0,0|2,0,0]=4 15064 B13R1.6 COCCSCc1cccc(c1)O 62a_100011660834_100000233755 [0,2,0,0,0,0|2,0,0]=4 15065 B13R1.6 COCNCCc1cccc(c1)Br 2230a_100011207229_100000766300 [0,2,0,0,0,0|2,0,0]=4 15066 B13R1.6 COCNCCc1cccc(c1)C 2230a_100000749837_100000766300 [0,2,0,0,0,0|2,0,0]=4 15067 B13R1.6 COCNCCc1cccc(c1)Cl 2230a_100000185263_100000766300 [0,2,0,0,0,0|2,0,0]=4 15068 B13R1.6 COCNCCc1cccc(c1)F 2230a_100000205154_100000766300 [0,2,0,0,0,0|2,0,0]=4 15069 B13R1.6 COCNCCc1cccc(c1)O 2230a_100000747277_100000766300 [0,2,0,0,0,0|2,0,0]=4 15070 B13R1.6 COCSCCc1cccc(c1)Br 62a_100000766300_100011740638 [0,2,0,0,0,0|2,0,0]=4 15071 B13R1.6 COCSCCc1cccc(c1)Br 62a_100011740638_100000766300 [0,2,0,0,0,0|2,0,0]=4 15072 B13R1.6 COCSCCc1cccc(c1)C 62a_100000766300_100011713685 [0,2,0,0,0,0|2,0,0]=4 15073 B13R1.6 COCSCCc1cccc(c1)C 62a_100011713685_100000766300 [0,2,0,0,0,0|2,0,0]=4 15074 B13R1.6 COCSCCc1cccc(c1)Cl 62a_100000766300_100011713710 [0,2,0,0,0,0|2,0,0]=4 15075 B13R1.6 COCSCCc1cccc(c1)Cl 62a_100011713710_100000766300 [0,2,0,0,0,0|2,0,0]=4 15076 B13R1.6 COCSCCc1cccc(c1)F 62a_100000766300_100011217235 [0,2,0,0,0,0|2,0,0]=4 15077 B13R1.6 COCSCCc1cccc(c1)F 62a_100011217235_100000766300 [0,2,0,0,0,0|2,0,0]=4 15078 B13R1.6 CSCCCOc1cccc(c1)C 62a_200000210301_100000212303 [0,2,0,0,0,0|2,0,0]=4 15079 B13R1.6 CSCCCOc1cccc(c1)Cl 62a_100000742658_200000210301 [0,2,0,0,0,0|2,0,0]=4 15080 B13R1.6 CSCCCOc1cccc(c1)Cl 62a_200000210301_100000742658 [0,2,0,0,0,0|2,0,0]=4 15081 B13R1.6 CSCCNCc1cccc(c1)Br 207a_100020590264_100000210085 [0,2,0,0,0,0|2,0,0]=4 15082 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100000174977_100000751147 [0,2,0,0,0,0|2,0,0]=4 15083 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100020590264_100000698116 [0,2,0,0,0,0|2,0,0]=4 15084 B13R1.6 CSCCNCc1cccc(c1)Br 270004a_100020590264_100000210085 [0,2,0,0,0,0|2,0,0]=4 15085 B13R1.6 CSCCNCc1cccc(c1)Br 34a_100000174977_100000212216 [0,2,0,0,0,0|2,0,0]=4 15086 B13R1.6 CSCCNCc1cccc(c1)C 207a_100020590264_100000211157 [0,2,0,0,0,0|2,0,0]=4 15087 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100000185548_100000751147 [0,2,0,0,0,0|2,0,0]=4 15088 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100020590264_100000211840 [0,2,0,0,0,0|2,0,0]=4 15089 B13R1.6 CSCCNCc1cccc(c1)C 270004a_100020590264_100000211157 [0,2,0,0,0,0|2,0,0]=4 15090 B13R1.6 CSCCNCc1cccc(c1)C 34a_100000185548_100000212216 [0,2,0,0,0,0|2,0,0]=4 15091 B13R1.6 CSCCNCc1cccc(c1)Cl 207a_100020590264_100000210801 [0,2,0,0,0,0|2,0,0]=4 15092 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100000174878_100000751147 [0,2,0,0,0,0|2,0,0]=4 15093 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100020590264_100000181238 [0,2,0,0,0,0|2,0,0]=4 15094 B13R1.6 CSCCNCc1cccc(c1)Cl 270004a_100020590264_100000210801 [0,2,0,0,0,0|2,0,0]=4 15095 B13R1.6 CSCCNCc1cccc(c1)Cl 34a_100000174878_100000212216 [0,2,0,0,0,0|2,0,0]=4 15096 B13R1.6 CSCCNCc1cccc(c1)F 207a_100020590264_100000210812 [0,2,0,0,0,0|2,0,0]=4 15097 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100000174948_100000751147 [0,2,0,0,0,0|2,0,0]=4 15098 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100020590264_100000230114 [0,2,0,0,0,0|2,0,0]=4 15099 B13R1.6 CSCCNCc1cccc(c1)F 270004a_100020590264_100000210812 [0,2,0,0,0,0|2,0,0]=4 15100 B13R1.6 CSCCNCc1cccc(c1)F 34a_100000174948_100000212216 [0,2,0,0,0,0|2,0,0]=4 15101 B13R1.6 CSCCNCc1cccc(c1)I 207a_100020590264_100000014684 [0,2,0,0,0,0|2,0,0]=4 15102 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100000106179_100000751147 [0,2,0,0,0,0|2,0,0]=4 15103 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100020590264_100011218688 [0,2,0,0,0,0|2,0,0]=4 15104 B13R1.6 CSCCNCc1cccc(c1)I 270004a_100020590264_100000014684 [0,2,0,0,0,0|2,0,0]=4 15105 B13R1.6 CSCCNCc1cccc(c1)I 34a_100000106179_100000212216 [0,2,0,0,0,0|2,0,0]=4 15106 B13R1.6 CSCCNCc1cccc(c1)O 207a_100020590264_100000188321 [0,2,0,0,0,0|2,0,0]=4 15107 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100000743036_100000751147 [0,2,0,0,0,0|2,0,0]=4 15108 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100020590264_100011660834 [0,2,0,0,0,0|2,0,0]=4 15109 B13R1.6 CSCCNCc1cccc(c1)O 270004a_100020590264_100000188321 [0,2,0,0,0,0|2,0,0]=4 15110 B13R1.6 CSCCNCc1cccc(c1)O 34a_100000743036_100000212216 [0,2,0,0,0,0|2,0,0]=4 15111 B13R1.6 CSCCOCc1cccc(c1)Br 34a_100000230434_100000698116 [0,2,0,0,0,0|2,0,0]=4 15112 B13R1.6 CSCCOCc1cccc(c1)Br 34a_100000687537_100000212216 [0,2,0,0,0,0|2,0,0]=4 15113 B13R1.6 CSCCOCc1cccc(c1)Br 7a_100000230434_100000211773 [0,2,0,0,0,0|2,0,0]=4 15114 B13R1.6 CSCCOCc1cccc(c1)Br 7a_100000687537_100000212216 [0,2,0,0,0,0|2,0,0]=4 15115 B13R1.6 CSCCOCc1cccc(c1)C 34a_100000230434_100000211840 [0,2,0,0,0,0|2,0,0]=4 15116 B13R1.6 CSCCOCc1cccc(c1)C 34a_100011217746_100000212216 [0,2,0,0,0,0|2,0,0]=4 15117 B13R1.6 CSCCOCc1cccc(c1)C 7a_100000230434_100000211840 [0,2,0,0,0,0|2,0,0]=4 15118 B13R1.6 CSCCOCc1cccc(c1)C 7a_100011217746_100000212216 [0,2,0,0,0,0|2,0,0]=4 15119 B13R1.6 CSCCOCc1cccc(c1)Cl 34a_100000230434_100000187163 [0,2,0,0,0,0|2,0,0]=4 15120 B13R1.6 CSCCOCc1cccc(c1)Cl 34a_100000241301_100000212216 [0,2,0,0,0,0|2,0,0]=4 15121 B13R1.6 CSCCOCc1cccc(c1)Cl 7a_100000230434_100000187163 [0,2,0,0,0,0|2,0,0]=4 15122 B13R1.6 CSCCOCc1cccc(c1)Cl 7a_100000241301_100000212216 [0,2,0,0,0,0|2,0,0]=4 15123 B13R1.6 CSCCOCc1cccc(c1)F 34a_100000210976_100000212216 [0,2,0,0,0,0|2,0,0]=4 15124 B13R1.6 CSCCOCc1cccc(c1)F 34a_100000230434_100000187166 [0,2,0,0,0,0|2,0,0]=4 15125 B13R1.6 CSCCOCc1cccc(c1)F 7a_100000210976_100000212216 [0,2,0,0,0,0|2,0,0]=4 15126 B13R1.6 CSCCOCc1cccc(c1)F 7a_100000230434_100000230114 [0,2,0,0,0,0|2,0,0]=4 15127 B13R1.6 CSCCOCc1cccc(c1)I 34a_100000230434_100011218688 [0,2,0,0,0,0|2,0,0]=4 15128 B13R1.6 CSCCOCc1cccc(c1)I 34a_100011215336_100000212216 [0,2,0,0,0,0|2,0,0]=4 15129 B13R1.6 CSCCOCc1cccc(c1)I 7a_100000230434_100011218688 [0,2,0,0,0,0|2,0,0]=4 15130 B13R1.6 CSCCOCc1cccc(c1)I 7a_100011215336_100000212216 [0,2,0,0,0,0|2,0,0]=4 15131 B13R1.6 CSCCOCc1cccc(c1)N 34a_100000211919_100000212216 [0,2,0,0,0,0|2,0,0]=4 15132 B13R1.6 CSCCOCc1cccc(c1)O 34a_100000230434_100011660834 [0,2,0,0,0,0|2,0,0]=4 15133 B13R1.6 CSCCOCc1cccc(c1)O 7a_100000230434_100000084143 [0,2,0,0,0,0|2,0,0]=4 15134 B13R1.6 CSCCSCc1cccc(c1)Br 62a_100000211773_100000751147 [0,2,0,0,0,0|2,0,0]=4 15135 B13R1.6 CSCCSCc1cccc(c1)Br 62a_100000212216_100000211773 [0,2,0,0,0,0|2,0,0]=4 15136 B13R1.6 CSCCSCc1cccc(c1)C 62a_100000211840_100000751147 [0,2,0,0,0,0|2,0,0]=4 15137 B13R1.6 CSCCSCc1cccc(c1)C 62a_100000212216_100000211840 [0,2,0,0,0,0|2,0,0]=4 15138 B13R1.6 CSCCSCc1cccc(c1)Cl 62a_100000187163_100000751147 [0,2,0,0,0,0|2,0,0]=4 15139 B13R1.6 CSCCSCc1cccc(c1)Cl 62a_100000212216_100000187163 [0,2,0,0,0,0|2,0,0]=4 15140 B13R1.6 CSCCSCc1cccc(c1)F 62a_100000212216_100000230114 [0,2,0,0,0,0|2,0,0]=4 15141 B13R1.6 CSCCSCc1cccc(c1)F 62a_100000230114_100000751147 [0,2,0,0,0,0|2,0,0]=4 15142 B13R1.6 CSCCSCc1cccc(c1)I 62a_100000212216_100011218688 [0,2,0,0,0,0|2,0,0]=4 15143 B13R1.6 CSCCSCc1cccc(c1)I 62a_100011218688_100000751147 [0,2,0,0,0,0|2,0,0]=4 15144 B13R1.6 CSCCSCc1cccc(c1)O 62a_100000212216_100011660834 [0,2,0,0,0,0|2,0,0]=4 15145 B13R1.6 CSCCSCc1cccc(c1)O 62a_100011660834_100000751147 [0,2,0,0,0,0|2,0,0]=4 15146 B13R1.6 CSCNCCc1cccc(c1)Br 2230a_100011207229_100011218213 [0,2,0,0,0,0|2,0,0]=4 15147 B13R1.6 CSCNCCc1cccc(c1)Br 34a_100011207229_100011218213 [0,2,0,0,0,0|2,0,0]=4 15148 B13R1.6 CSCNCCc1cccc(c1)C 2230a_100000749837_100011218213 [0,2,0,0,0,0|2,0,0]=4 15149 B13R1.6 CSCNCCc1cccc(c1)C 34a_100000749837_100011218213 [0,2,0,0,0,0|2,0,0]=4 15150 B13R1.6 CSCNCCc1cccc(c1)Cl 2230a_100000185263_100011218213 [0,2,0,0,0,0|2,0,0]=4 15151 B13R1.6 CSCNCCc1cccc(c1)Cl 34a_100000185263_100011218213 [0,2,0,0,0,0|2,0,0]=4 15152 B13R1.6 CSCNCCc1cccc(c1)F 2230a_100000205154_100011218213 [0,2,0,0,0,0|2,0,0]=4 15153 B13R1.6 CSCNCCc1cccc(c1)F 34a_100000205154_100011218213 [0,2,0,0,0,0|2,0,0]=4 15154 B13R1.6 CSCNCCc1cccc(c1)O 2230a_100000747277_100011218213 [0,2,0,0,0,0|2,0,0]=4 15155 B13R1.6 CSCNCCc1cccc(c1)O 34a_100000747277_100011218213 [0,2,0,0,0,0|2,0,0]=4 15156 B13R1.6 CSCOCCc1cccc(c1)Br 34a_100011217444_100011218213 [0,2,0,0,0,0|2,0,0]=4 15157 B13R1.6 CSCOCCc1cccc(c1)C 34a_100011217157_100011218213 [0,2,0,0,0,0|2,0,0]=4 15158 B13R1.6 CSCOCCc1cccc(c1)Cl 34a_100000754733_100011218213 [0,2,0,0,0,0|2,0,0]=4 15159 B13R1.6 CSCOCCc1cccc(c1)F 34a_100000763591_100011218213 [0,2,0,0,0,0|2,0,0]=4 15160 B13R1.6 CSCOCCc1cccc(c1)N 34a_100011996697_100011218213 [0,2,0,0,0,0|2,0,0]=4 15161 B13R1.6 CSCSCCc1cccc(c1)Br 62a_100011218213_100011740638 [0,2,0,0,0,0|2,0,0]=4 15162 B13R1.6 CSCSCCc1cccc(c1)Br 62a_100011740638_100011218213 [0,2,0,0,0,0|2,0,0]=4 15163 B13R1.6 CSCSCCc1cccc(c1)C 62a_100011218213_100011713685 [0,2,0,0,0,0|2,0,0]=4 15164 B13R1.6 CSCSCCc1cccc(c1)C 62a_100011713685_100011218213 [0,2,0,0,0,0|2,0,0]=4 15165 B13R1.6 CSCSCCc1cccc(c1)Cl 62a_100011218213_100011713710 [0,2,0,0,0,0|2,0,0]=4 15166 B13R1.6 CSCSCCc1cccc(c1)Cl 62a_100011713710_100011218213 [0,2,0,0,0,0|2,0,0]=4 15167 B13R1.6 CSCSCCc1cccc(c1)F 62a_100011217235_100011218213 [0,2,0,0,0,0|2,0,0]=4 15168 B13R1.6 CSCSCCc1cccc(c1)F 62a_100011218213_100011217235 [0,2,0,0,0,0|2,0,0]=4 15169 B13R1.6 C[n+]1cccc(c1)SCCCCF 62a_100000729493_100009996589 [0,2,0,0,0,0|2,0,0]=4 15170 B13R1.6 C[n+]1cccc(c1)SCCCCF 62a_100009996589_100000729493 [0,2,0,0,0,0|2,0,0]=4 15171 B13R1.6 C[n+]1cccc(c1)SCCCCO 62a_100000210776_100009996589 [0,2,0,0,0,0|2,0,0]=4 15172 B13R1.6 C[n+]1cccc(c1)SCCCCO 62a_100009996589_100000210776 [0,2,0,0,0,0|2,0,0]=4 15173 B13R1.6 Cc1cc(ccn1)CNCCCF 207a_100015189416_100011361630 [0,2,0,0,0,0|2,0,0]=4 15174 B13R1.6 Cc1cc(ccn1)CNCCCF 2230a_100015189416_200020672517 [0,2,0,0,0,0|2,0,0]=4 15175 B13R1.6 Cc1cc(ccn1)CNCCCF 270004a_100015189416_100011361630 [0,2,0,0,0,0|2,0,0]=4 15176 B13R1.6 Cc1cc(ccn1)CNCCCF 34a_100011934566_100011934791 [0,2,0,0,0,0|2,0,0]=4 15177 B13R1.6 Cc1cc(ccn1)CNCCCF 34a_100015189416_200020672517 [0,2,0,0,0,0|2,0,0]=4 15178 B13R1.6 Cc1cc(ccn1)CNCCCO 207a_100000182051_100011361630 [0,2,0,0,0,0|2,0,0]=4 15179 B13R1.6 Cc1cc(ccn1)CNCCCO 270004a_100000182051_100011361630 [0,2,0,0,0,0|2,0,0]=4 15180 B13R1.6 Cc1cc(ccn1)CNCCCO 34a_100011934566_100000230001 [0,2,0,0,0,0|2,0,0]=4 15181 B13R1.6 Cc1cc(ccn1)COCCCBr 34a_100011217188_200020672517 [0,2,0,0,0,0|2,0,0]=4 15182 B13R1.6 Cc1cc(ccn1)COCCCCl 34a_100000230001_200020672517 [0,2,0,0,0,0|2,0,0]=4 15183 B13R1.6 Cc1cc(ccn1)COCCCF 34a_100000759539_200020672517 [0,2,0,0,0,0|2,0,0]=4 15184 B13R1.6 Cc1cc(ccn1)COCCCF 34a_100011998630_100011934791 [0,2,0,0,0,0|2,0,0]=4 15185 B13R1.6 Cc1cc(ccn1)COCCCN 34a_100000182051_200020672517 [0,2,0,0,0,0|1,0,0]=3 15186 B13R1.6 Cc1cc(ccn1)COCCCO 34a_100011998630_100000230001 [0,2,0,0,0,0|2,0,0]=4 15187 B13R1.6 Cc1cc(ccn1)COCCON 34a_100000700252_200020672517 [0,2,0,0,0,0|2,0,0]=4 15188 B13R1.6 Cc1cc(ccn1)CSCCCF 62a_100011934791_200020672517 [0,2,0,0,0,0|2,0,0]=4 15189 B13R1.6 Cc1cc(ccn1)CSCCCF 62a_200020672517_100011934791 [0,2,0,0,0,0|2,0,0]=4 15190 B13R1.6 Cc1cc(ccn1)CSCCCO 62a_100011215043_200020672517 [0,2,0,0,0,0|2,0,0]=4 15191 B13R1.6 Cc1cc(ccn1)CSCCCO 62a_200020672517_100011215043 [0,2,0,0,0,0|2,0,0]=4 15192 B13R1.6 Cc1cc(ccn1)NCCCCO 27a_100000750430_100000758586 [0,2,0,0,0,0|2,0,0]=4 15193 B13R1.6 Cc1cc(ccn1)OCCCCF 34a_100000688365_100000729493 [0,2,0,0,0,0|2,0,0]=4 15194 B13R1.6 Cc1cc(ccn1)OCCCCO 34a_100000688365_100011216708 [0,2,0,0,0,0|2,0,0]=4 15195 B13R1.6 Cc1cc(ccn1)SCCCCF 62a_100000729493_100000758586 [0,2,0,0,0,0|2,0,0]=4 15196 B13R1.6 Cc1cc(ccn1)SCCCCF 62a_100000758586_100000729493 [0,2,0,0,0,0|2,0,0]=4 15197 B13R1.6 Cc1cc(ccn1)SCCCCO 62a_100000210776_100000758586 [0,2,0,0,0,0|2,0,0]=4 15198 B13R1.6 Cc1cc(ccn1)SCCCCO 62a_100000758586_100000210776 [0,2,0,0,0,0|2,0,0]=4 15199 B13R1.6 Cc1cccc(c1)CCCNCF 34a_103496528808_100015361967 [0,2,0,0,0,0|1,0,0]=3 15200 B13R1.6 Cc1cccc(c1)CCNCC#N 2230a_100000749837_100011215382 [0,2,0,0,0,0|0,0,2]=4 15201 B13R1.6 Cc1cccc(c1)CCNCC=O 2230a_100000749837_200015260668 [0,2,0,0,0,0|1,0,1]=4 15202 B13R1.6 Cc1cccc(c1)CCNCC=O 34a_100000749837_200009817547 [0,2,0,0,0,0|1,0,1]=4 15203 B13R1.6 Cc1cccc(c1)CCNCCF 2230a_100000749837_100011217306 [0,2,0,0,0,0|1,0,0]=3 15204 B13R1.6 Cc1cccc(c1)CCNCCF 34a_100000724931_100011713685 [0,2,0,0,0,0|1,0,0]=3 15205 B13R1.6 Cc1cccc(c1)CCNCCF 34a_100000749837_100011217306 [0,2,0,0,0,0|1,0,0]=3 15206 B13R1.6 Cc1cccc(c1)CCNCCO 2230a_100000749837_100000211926 [0,2,0,0,0,0|1,0,0]=3 15207 B13R1.6 Cc1cccc(c1)CCNCCO 2230a_100016997473_100011713685 [0,2,0,0,0,0|1,0,0]=3 15208 B13R1.6 Cc1cccc(c1)CCNCCO 34a_100000749837_100000211926 [0,2,0,0,0,0|1,0,0]=3 15209 B13R1.6 Cc1cccc(c1)CCNCCO 34a_100016990907_100011713685 [0,2,0,0,0,0|1,0,0]=3 15210 B13R1.6 Cc1cccc(c1)CCOCC#N 7a_100011217157_100011215382 [0,2,0,0,0,0|0,0,2]=4 15211 B13R1.6 Cc1cccc(c1)CCOCC=O 34a_100011217157_200009817547 [0,2,0,0,0,0|1,0,1]=4 15212 B13R1.6 Cc1cccc(c1)CCOCC=O 7a_100011217157_200015260668 [0,2,0,0,0,0|1,0,1]=4 15213 B13R1.6 Cc1cccc(c1)CCOCCBr 34a_100000211926_100011713685 [0,2,0,0,0,0|1,0,0]=3 15214 B13R1.6 Cc1cccc(c1)CCOCCF 34a_100011217157_100011217306 [0,2,0,0,0,0|1,0,0]=3 15215 B13R1.6 Cc1cccc(c1)CCOCCF 7a_100011217157_100011217306 [0,2,0,0,0,0|1,0,0]=3 15216 B13R1.6 Cc1cccc(c1)CCOCCN 34a_100000210304_100011713685 [0,2,0,0,0,0|0,0,0]=2 15217 B13R1.6 Cc1cccc(c1)CCOCCO 34a_100011217157_100000211926 [0,2,0,0,0,0|1,0,0]=3 15218 B13R1.6 Cc1cccc(c1)CCOCCO 7a_100011217157_100000211926 [0,2,0,0,0,0|1,0,0]=3 15219 B13R1.6 Cc1cccc(c1)CCSCC#N 62a_100011215382_100011713685 [0,2,0,0,0,0|0,0,2]=4 15220 B13R1.6 Cc1cccc(c1)CCSCC#N 62a_100011713685_100011215382 [0,2,0,0,0,0|0,0,2]=4 15221 B13R1.6 Cc1cccc(c1)CCSCC=O 62a_100011713685_200015260668 [0,2,0,0,0,0|1,0,1]=4 15222 B13R1.6 Cc1cccc(c1)CCSCC=O 62a_200015260668_100011713685 [0,2,0,0,0,0|1,0,1]=4 15223 B13R1.6 Cc1cccc(c1)CCSCCF 62a_100011217306_100011713685 [0,2,0,0,0,0|1,0,0]=3 15224 B13R1.6 Cc1cccc(c1)CCSCCF 62a_100011713685_100011217306 [0,2,0,0,0,0|1,0,0]=3 15225 B13R1.6 Cc1cccc(c1)CCSCCO 62a_100000211926_100011713685 [0,2,0,0,0,0|1,0,0]=3 15226 B13R1.6 Cc1cccc(c1)CCSCCO 62a_100011713685_100000211926 [0,2,0,0,0,0|1,0,0]=3 15227 B13R1.6 Cc1cccc(c1)CNCCC#N 2230a_100000185548_100011215226 [0,2,0,0,0,0|0,0,2]=4 15228 B13R1.6 Cc1cccc(c1)CNCCC#N 270004a_100000720768_100000211157 [0,2,0,0,0,0|0,0,2]=4 15229 B13R1.6 Cc1cccc(c1)CNCCCF 207a_100015189416_100000211157 [0,2,0,0,0,0|1,0,0]=3 15230 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100000185548_100011934791 [0,2,0,0,0,0|1,0,0]=3 15231 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100015189416_100000211840 [0,2,0,0,0,0|1,0,0]=3 15232 B13R1.6 Cc1cccc(c1)CNCCCF 270004a_100015189416_100000211157 [0,2,0,0,0,0|1,0,0]=3 15233 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100000185548_100011934791 [0,2,0,0,0,0|1,0,0]=3 15234 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100015189416_100000211840 [0,2,0,0,0,0|1,0,0]=3 15235 B13R1.6 Cc1cccc(c1)CNCCCO 207a_100000182051_100000211157 [0,2,0,0,0,0|1,0,0]=3 15236 B13R1.6 Cc1cccc(c1)CNCCCO 2230a_100000185548_100000230001 [0,2,0,0,0,0|1,0,0]=3 15237 B13R1.6 Cc1cccc(c1)CNCCCO 270004a_100000182051_100000211157 [0,2,0,0,0,0|1,0,0]=3 15238 B13R1.6 Cc1cccc(c1)CNCCCO 34a_100000185548_100000230001 [0,2,0,0,0,0|1,0,0]=3 15239 B13R1.6 Cc1cccc(c1)COCCC#N 7a_100011217746_100000184422 [0,2,0,0,0,0|0,0,2]=4 15240 B13R1.6 Cc1cccc(c1)COCCCBr 34a_100011217188_100000211840 [0,2,0,0,0,0|1,0,0]=3 15241 B13R1.6 Cc1cccc(c1)COCCCCl 34a_100000230001_100000211840 [0,2,0,0,0,0|1,0,0]=3 15242 B13R1.6 Cc1cccc(c1)COCCCF 34a_100000759539_100000211840 [0,2,0,0,0,0|1,0,0]=3 15243 B13R1.6 Cc1cccc(c1)COCCCF 34a_100011217746_100011934791 [0,2,0,0,0,0|1,0,0]=3 15244 B13R1.6 Cc1cccc(c1)COCCCF 7a_100011217746_100011934791 [0,2,0,0,0,0|1,0,0]=3 15245 B13R1.6 Cc1cccc(c1)COCCCN 34a_100000182051_100000211840 [0,2,0,0,0,0|0,0,0]=2 15246 B13R1.6 Cc1cccc(c1)COCCCO 34a_100011217746_100000230001 [0,2,0,0,0,0|1,0,0]=3 15247 B13R1.6 Cc1cccc(c1)COCCCO 7a_100011217746_100011215043 [0,2,0,0,0,0|1,0,0]=3 15248 B13R1.6 Cc1cccc(c1)COCCON 34a_100000700252_100000211840 [0,2,0,0,0,0|1,0,0]=3 15249 B13R1.6 Cc1cccc(c1)CSCCC#N 62a_100000211840_100011215226 [0,2,0,0,0,0|0,0,2]=4 15250 B13R1.6 Cc1cccc(c1)CSCCC#N 62a_100011215226_100000211840 [0,2,0,0,0,0|0,0,2]=4 15251 B13R1.6 Cc1cccc(c1)CSCCCF 62a_100000211840_100011934791 [0,2,0,0,0,0|1,0,0]=3 15252 B13R1.6 Cc1cccc(c1)CSCCCF 62a_100011934791_100000211840 [0,2,0,0,0,0|1,0,0]=3 15253 B13R1.6 Cc1cccc(c1)CSCCCO 62a_100000211840_100011215043 [0,2,0,0,0,0|1,0,0]=3 15254 B13R1.6 Cc1cccc(c1)CSCCCO 62a_100011215043_100000211840 [0,2,0,0,0,0|1,0,0]=3 15255 B13R1.6 Cc1cccc(c1)CSCCO[13CH3] 34a_100011212950_200025704644 [0,2,0,0,0,0|2,0,0]=4 15256 B13R1.6 Cc1cccc(c1)CSCCO[13CH3] 7a_100011212950_200025704644 [0,2,0,0,0,0|2,0,0]=4 15257 B13R1.6 Cc1cccc(c1)NCCCC#N 2230a_100000188690_100000687738 [0,2,0,0,0,0|0,0,2]=4 15258 B13R1.6 Cc1cccc(c1)NCCCC=O 2230a_100000188690_200011292268 [0,2,0,0,0,0|1,0,1]=4 15259 B13R1.6 Cc1cccc(c1)NCCCCF 2230a_100000188690_100000729493 [0,2,0,0,0,0|1,0,0]=3 15260 B13R1.6 Cc1cccc(c1)NCCCCF 34a_100000188690_100000729493 [0,2,0,0,0,0|1,0,0]=3 15261 B13R1.6 Cc1cccc(c1)NCCCCO 2230a_100000188690_100000210776 [0,2,0,0,0,0|1,0,0]=3 15262 B13R1.6 Cc1cccc(c1)NCCCCO 34a_100000188690_100011216708 [0,2,0,0,0,0|1,0,0]=3 15263 B13R1.6 Cc1cccc(c1)OCCCC#N 7a_100000210337_100000687738 [0,2,0,0,0,0|0,0,2]=4 15264 B13R1.6 Cc1cccc(c1)OCCCC=O 7a_100000210337_200011292268 [0,2,0,0,0,0|1,0,1]=4 15265 B13R1.6 Cc1cccc(c1)OCCCCF 34a_100000210337_100000729493 [0,2,0,0,0,0|1,0,0]=3 15266 B13R1.6 Cc1cccc(c1)OCCCCF 7a_100000210337_100000729493 [0,2,0,0,0,0|1,0,0]=3 15267 B13R1.6 Cc1cccc(c1)OCCCCO 34a_100000210337_100011216708 [0,2,0,0,0,0|1,0,0]=3 15268 B13R1.6 Cc1cccc(c1)OCCCCO 7a_100000210337_100000210776 [0,2,0,0,0,0|1,0,0]=3 15269 B13R1.6 Cc1cccc(c1)OCCCS[13CH3] 62a_200025704644_100000212303 [0,2,0,0,0,0|2,0,0]=4 15270 B13R1.6 Cc1cccc(c1)OCCNCF 34a_100015185188_100015361967 [0,2,0,0,0,0|2,0,0]=4 15271 B13R1.6 Cc1cccc(c1)OCCOCF 34a_200011215094_100015361967 [0,2,0,0,0,0|2,0,0]=4 15272 B13R1.6 Cc1cccc(c1)OCCOCF 7a_200011215094_100015361967 [0,2,0,0,0,0|2,0,0]=4 15273 B13R1.6 Cc1cccc(c1)SCCCC#N 62a_100000687738_100011215228 [0,2,0,0,0,0|0,0,2]=4 15274 B13R1.6 Cc1cccc(c1)SCCCC#N 62a_100011215228_100000687738 [0,2,0,0,0,0|0,0,2]=4 15275 B13R1.6 Cc1cccc(c1)SCCCC=O 62a_100011215228_200011292268 [0,2,0,0,0,0|1,0,1]=4 15276 B13R1.6 Cc1cccc(c1)SCCCC=O 62a_200011292268_100011215228 [0,2,0,0,0,0|1,0,1]=4 15277 B13R1.6 Cc1cccc(c1)SCCCCF 62a_100000729493_100011215228 [0,2,0,0,0,0|1,0,0]=3 15278 B13R1.6 Cc1cccc(c1)SCCCCF 62a_100011215228_100000729493 [0,2,0,0,0,0|1,0,0]=3 15279 B13R1.6 Cc1cccc(c1)SCCCCO 62a_100000210776_100011215228 [0,2,0,0,0,0|1,0,0]=3 15280 B13R1.6 Cc1cccc(c1)SCCCCO 62a_100011215228_100000210776 [0,2,0,0,0,0|1,0,0]=3 15281 B13R1.6 Cc1cccc(c1)SCCOCF 34a_200011432187_100015361967 [0,2,0,0,0,0|2,0,0]=4 15282 B13R1.6 Cc1cccc(c1)SCCOCF 7a_200011432187_100015361967 [0,2,0,0,0,0|2,0,0]=4 15283 B13R1.6 Cc1cccc(n1)CCCOCF 34a_100000211354_100015361967 [0,2,0,0,0,0|2,0,0]=4 15284 B13R1.6 Cc1cccc(n1)CCNCCF 2230a_100011824523_100011217306 [0,2,0,0,0,0|2,0,0]=4 15285 B13R1.6 Cc1cccc(n1)CCNCCF 34a_100011824523_100011217306 [0,2,0,0,0,0|2,0,0]=4 15286 B13R1.6 Cc1cccc(n1)CCNCCO 2230a_100011824523_100000211926 [0,2,0,0,0,0|2,0,0]=4 15287 B13R1.6 Cc1cccc(n1)CCNCCO 34a_100011824523_100000211926 [0,2,0,0,0,0|2,0,0]=4 15288 B13R1.6 Cc1cccc(n1)CNCCCF 207a_100015189416_100011215050 [0,2,0,0,0,0|2,0,0]=4 15289 B13R1.6 Cc1cccc(n1)CNCCCF 2230a_100015189416_100000757606 [0,2,0,0,0,0|2,0,0]=4 15290 B13R1.6 Cc1cccc(n1)CNCCCF 270004a_100015189416_100011215050 [0,2,0,0,0,0|2,0,0]=4 15291 B13R1.6 Cc1cccc(n1)CNCCCF 34a_100000701342_100011934791 [0,2,0,0,0,0|2,0,0]=4 15292 B13R1.6 Cc1cccc(n1)CNCCCF 34a_100015189416_100000757606 [0,2,0,0,0,0|2,0,0]=4 15293 B13R1.6 Cc1cccc(n1)CNCCCO 207a_100000182051_100011215050 [0,2,0,0,0,0|2,0,0]=4 15294 B13R1.6 Cc1cccc(n1)CNCCCO 270004a_100000182051_100011215050 [0,2,0,0,0,0|2,0,0]=4 15295 B13R1.6 Cc1cccc(n1)CNCCCO 34a_100000701342_100000230001 [0,2,0,0,0,0|2,0,0]=4 15296 B13R1.6 Cc1cccc(n1)COCCCBr 34a_100011217188_100000757606 [0,2,0,0,0,0|2,0,0]=4 15297 B13R1.6 Cc1cccc(n1)COCCCCl 34a_100000230001_100000757606 [0,2,0,0,0,0|2,0,0]=4 15298 B13R1.6 Cc1cccc(n1)COCCCF 34a_100000690600_100011934791 [0,2,0,0,0,0|2,0,0]=4 15299 B13R1.6 Cc1cccc(n1)COCCCF 34a_100000759539_100000757606 [0,2,0,0,0,0|2,0,0]=4 15300 B13R1.6 Cc1cccc(n1)COCCCN 34a_100000182051_100000757606 [0,2,0,0,0,0|1,0,0]=3 15301 B13R1.6 Cc1cccc(n1)COCCCO 34a_100000690600_100000230001 [0,2,0,0,0,0|2,0,0]=4 15302 B13R1.6 Cc1cccc(n1)COCCON 34a_100000700252_100000757606 [0,2,0,0,0,0|2,0,0]=4 15303 B13R1.6 Cc1cccc(n1)CSCCCF 62a_100000757606_100011934791 [0,2,0,0,0,0|2,0,0]=4 15304 B13R1.6 Cc1cccc(n1)CSCCCF 62a_100011934791_100000757606 [0,2,0,0,0,0|2,0,0]=4 15305 B13R1.6 Cc1cccc(n1)CSCCCO 62a_100000757606_100011215043 [0,2,0,0,0,0|2,0,0]=4 15306 B13R1.6 Cc1cccc(n1)CSCCCO 62a_100011215043_100000757606 [0,2,0,0,0,0|2,0,0]=4 15307 B13R1.6 Cc1cccc(n1)SCCCCF 62a_100000729493_100000742759 [0,2,0,0,0,0|2,0,0]=4 15308 B13R1.6 Cc1cccc(n1)SCCCCF 62a_100000742759_100000729493 [0,2,0,0,0,0|2,0,0]=4 15309 B13R1.6 Cc1cccc(n1)SCCCCO 62a_100000210776_100000742759 [0,2,0,0,0,0|2,0,0]=4 15310 B13R1.6 Cc1cccc(n1)SCCCCO 62a_100000742759_100000210776 [0,2,0,0,0,0|2,0,0]=4 15311 B13R1.6 Cc1ccnc(c1)CNCCCF 207a_100015189416_100011361488 [0,2,0,0,0,0|2,0,0]=4 15312 B13R1.6 Cc1ccnc(c1)CNCCCF 2230a_100015189416_100000718516 [0,2,0,0,0,0|2,0,0]=4 15313 B13R1.6 Cc1ccnc(c1)CNCCCF 270004a_100015189416_100011361488 [0,2,0,0,0,0|2,0,0]=4 15314 B13R1.6 Cc1ccnc(c1)CNCCCF 34a_100015189416_100000718516 [0,2,0,0,0,0|2,0,0]=4 15315 B13R1.6 Cc1ccnc(c1)CNCCCO 207a_100000182051_100011361488 [0,2,0,0,0,0|2,0,0]=4 15316 B13R1.6 Cc1ccnc(c1)CNCCCO 270004a_100000182051_100011361488 [0,2,0,0,0,0|2,0,0]=4 15317 B13R1.6 Cc1ccnc(c1)COCCCBr 34a_100011217188_100000718516 [0,2,0,0,0,0|2,0,0]=4 15318 B13R1.6 Cc1ccnc(c1)COCCCCl 34a_100000230001_100000718516 [0,2,0,0,0,0|2,0,0]=4 15319 B13R1.6 Cc1ccnc(c1)COCCCF 34a_100000759539_100000718516 [0,2,0,0,0,0|2,0,0]=4 15320 B13R1.6 Cc1ccnc(c1)COCCCF 34a_100011998357_100011934791 [0,2,0,0,0,0|2,0,0]=4 15321 B13R1.6 Cc1ccnc(c1)COCCCN 34a_100000182051_100000718516 [0,2,0,0,0,0|1,0,0]=3 15322 B13R1.6 Cc1ccnc(c1)COCCCO 34a_100011998357_100000230001 [0,2,0,0,0,0|2,0,0]=4 15323 B13R1.6 Cc1ccnc(c1)COCCON 34a_100000700252_100000718516 [0,2,0,0,0,0|2,0,0]=4 15324 B13R1.6 Cc1ccnc(c1)CSCCCF 62a_100000718516_100011934791 [0,2,0,0,0,0|2,0,0]=4 15325 B13R1.6 Cc1ccnc(c1)CSCCCF 62a_100011934791_100000718516 [0,2,0,0,0,0|2,0,0]=4 15326 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100000718516_100011215043 [0,2,0,0,0,0|2,0,0]=4 15327 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100011215043_100000718516 [0,2,0,0,0,0|2,0,0]=4 15328 B13R1.6 Cc1ccnc(c1)SCCCCF 62a_100000729493_100000750283 [0,2,0,0,0,0|2,0,0]=4 15329 B13R1.6 Cc1ccnc(c1)SCCCCF 62a_100000750283_100000729493 [0,2,0,0,0,0|2,0,0]=4 15330 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000210776_100000750283 [0,2,0,0,0,0|2,0,0]=4 15331 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000750283_100000210776 [0,2,0,0,0,0|2,0,0]=4 15332 B13R1.6 Cc1cncc(c1)CNCCCF 207a_100015189416_100011998712 [0,2,0,0,0,0|2,0,0]=4 15333 B13R1.6 Cc1cncc(c1)CNCCCF 2230a_100000692839_100011934791 [0,2,0,0,0,0|2,0,0]=4 15334 B13R1.6 Cc1cncc(c1)CNCCCF 2230a_100015189416_100000716715 [0,2,0,0,0,0|2,0,0]=4 15335 B13R1.6 Cc1cncc(c1)CNCCCF 270004a_100015189416_100011998712 [0,2,0,0,0,0|2,0,0]=4 15336 B13R1.6 Cc1cncc(c1)CNCCCF 34a_100000692839_100011934791 [0,2,0,0,0,0|2,0,0]=4 15337 B13R1.6 Cc1cncc(c1)CNCCCF 34a_100015189416_100000716715 [0,2,0,0,0,0|2,0,0]=4 15338 B13R1.6 Cc1cncc(c1)CNCCCO 207a_100000182051_100011998712 [0,2,0,0,0,0|2,0,0]=4 15339 B13R1.6 Cc1cncc(c1)CNCCCO 2230a_100000692839_100000230001 [0,2,0,0,0,0|2,0,0]=4 15340 B13R1.6 Cc1cncc(c1)CNCCCO 270004a_100000182051_100011998712 [0,2,0,0,0,0|2,0,0]=4 15341 B13R1.6 Cc1cncc(c1)CNCCCO 34a_100000692839_100000230001 [0,2,0,0,0,0|2,0,0]=4 15342 B13R1.6 Cc1cncc(c1)COCCCBr 34a_100011217188_100000716715 [0,2,0,0,0,0|2,0,0]=4 15343 B13R1.6 Cc1cncc(c1)COCCCCl 34a_100000230001_100000716715 [0,2,0,0,0,0|2,0,0]=4 15344 B13R1.6 Cc1cncc(c1)COCCCF 34a_100000759539_100000716715 [0,2,0,0,0,0|2,0,0]=4 15345 B13R1.6 Cc1cncc(c1)COCCCF 34a_100011998709_100011934791 [0,2,0,0,0,0|2,0,0]=4 15346 B13R1.6 Cc1cncc(c1)COCCCF 7a_100011998709_100011934791 [0,2,0,0,0,0|2,0,0]=4 15347 B13R1.6 Cc1cncc(c1)COCCCN 34a_100000182051_100000716715 [0,2,0,0,0,0|1,0,0]=3 15348 B13R1.6 Cc1cncc(c1)COCCCO 34a_100011998709_100000230001 [0,2,0,0,0,0|2,0,0]=4 15349 B13R1.6 Cc1cncc(c1)COCCCO 7a_100011998709_100011215043 [0,2,0,0,0,0|2,0,0]=4 15350 B13R1.6 Cc1cncc(c1)COCCON 34a_100000700252_100000716715 [0,2,0,0,0,0|2,0,0]=4 15351 B13R1.6 Cc1cncc(c1)CSCCCF 62a_100000716715_100011934791 [0,2,0,0,0,0|2,0,0]=4 15352 B13R1.6 Cc1cncc(c1)CSCCCF 62a_100011934791_100000716715 [0,2,0,0,0,0|2,0,0]=4 15353 B13R1.6 Cc1cncc(c1)CSCCCO 62a_100000716715_100011215043 [0,2,0,0,0,0|2,0,0]=4 15354 B13R1.6 Cc1cncc(c1)CSCCCO 62a_100011215043_100000716715 [0,2,0,0,0,0|2,0,0]=4 15355 B13R1.6 Cc1cncc(c1)OCCCCF 34a_100011830280_100000729493 [0,2,0,0,0,0|2,0,0]=4 15356 B13R1.6 Cc1cncc(c1)OCCCCF 7a_100011830280_100000729493 [0,2,0,0,0,0|2,0,0]=4 15357 B13R1.6 Cc1cncc(c1)OCCCCO 34a_100011830280_100011216708 [0,2,0,0,0,0|2,0,0]=4 15358 B13R1.6 Cc1cncc(c1)OCCCCO 7a_100011830280_100000210776 [0,2,0,0,0,0|2,0,0]=4 15359 B13R1.6 Cc1cncc(c1)SCCCCF 62a_100000729493_100000760492 [0,2,0,0,0,0|2,0,0]=4 15360 B13R1.6 Cc1cncc(c1)SCCCCF 62a_100000760492_100000729493 [0,2,0,0,0,0|2,0,0]=4 15361 B13R1.6 Cc1cncc(c1)SCCCCO 62a_100000210776_100000760492 [0,2,0,0,0,0|2,0,0]=4 15362 B13R1.6 Cc1cncc(c1)SCCCCO 62a_100000760492_100000210776 [0,2,0,0,0,0|2,0,0]=4 15363 B13R1.6 ClCCCOCc1cc(ccn1)Br 34a_100000230001_100010173614 [0,2,0,0,0,0|2,0,0]=4 15364 B13R1.6 ClCCCOCc1cc(ccn1)Cl 34a_100000230001_100016988179 [0,2,0,0,0,0|2,0,0]=4 15365 B13R1.6 ClCCCOCc1cccc(c1)Br 34a_100000230001_100000698116 [0,2,0,0,0,0|1,0,0]=3 15366 B13R1.6 ClCCCOCc1cccc(c1)Cl 34a_100000230001_100000187163 [0,2,0,0,0,0|1,0,0]=3 15367 B13R1.6 ClCCCOCc1cccc(c1)I 34a_100000230001_100011218688 [0,2,0,0,0,0|1,0,0]=3 15368 B13R1.6 ClCCCOCc1cccc(n1)Br 34a_100000230001_100009889011 [0,2,0,0,0,0|2,0,0]=4 15369 B13R1.6 ClCCCOCc1cccc(n1)Cl 34a_100000230001_100000086093 [0,2,0,0,0,0|2,0,0]=4 15370 B13R1.6 ClCCCOCc1ccnc(c1)Br 34a_100000230001_100010243470 [0,2,0,0,0,0|2,0,0]=4 15371 B13R1.6 ClCCCOCc1ccnc(c1)Cl 34a_100000230001_100000764220 [0,2,0,0,0,0|2,0,0]=4 15372 B13R1.6 ClCCCOCc1cncc(c1)Br 34a_100000230001_100000738771 [0,2,0,0,0,0|2,0,0]=4 15373 B13R1.6 ClCCCOCc1cncc(c1)Cl 34a_100000230001_100016992070 [0,2,0,0,0,0|2,0,0]=4 15374 B13R1.6 Clc1cc(ccn1)COCCCBr 34a_100011217188_100000764220 [0,2,0,0,0,0|2,0,0]=4 15375 B13R1.6 Clc1cccc(c1)CCOCCBr 34a_100000211926_100011713710 [0,2,0,0,0,0|1,0,0]=3 15376 B13R1.6 Clc1cccc(c1)COCCCBr 34a_100011217188_100000187163 [0,2,0,0,0,0|1,0,0]=3 15377 B13R1.6 Clc1cccc(n1)COCCCBr 34a_100011217188_100000086093 [0,2,0,0,0,0|2,0,0]=4 15378 B13R1.6 Clc1ccnc(c1)COCCCBr 34a_100011217188_100016988179 [0,2,0,0,0,0|2,0,0]=4 15379 B13R1.6 Clc1cncc(c1)COCCCBr 34a_100011217188_100016992070 [0,2,0,0,0,0|2,0,0]=4 15380 B13R1.6 FCCCCNc1cccc(c1)Br 34a_100000210019_100000729493 [0,2,0,0,0,0|1,0,0]=3 15381 B13R1.6 FCCCCNc1cccc(c1)Cl 34a_100000185859_100000729493 [0,2,0,0,0,0|1,0,0]=3 15382 B13R1.6 FCCCCNc1cccc(c1)F 34a_100000210047_100000729493 [0,2,0,0,0,0|1,0,0]=3 15383 B13R1.6 FCCCCNc1cccc(c1)I 34a_100000211102_100000729493 [0,2,0,0,0,0|1,0,0]=3 15384 B13R1.6 FCCCCOc1cccc(c1)Br 34a_100000210342_100000729493 [0,2,0,0,0,0|1,0,0]=3 15385 B13R1.6 FCCCCOc1cccc(c1)Br 7a_100000210342_100000729493 [0,2,0,0,0,0|1,0,0]=3 15386 B13R1.6 FCCCCOc1cccc(c1)Cl 34a_100000210295_100000729493 [0,2,0,0,0,0|1,0,0]=3 15387 B13R1.6 FCCCCOc1cccc(c1)Cl 7a_100000210295_100000729493 [0,2,0,0,0,0|1,0,0]=3 15388 B13R1.6 FCCCCOc1cccc(c1)F 34a_100000210426_100000729493 [0,2,0,0,0,0|1,0,0]=3 15389 B13R1.6 FCCCCOc1cccc(c1)F 7a_100000210426_100000729493 [0,2,0,0,0,0|1,0,0]=3 15390 B13R1.6 FCCCCOc1cccc(c1)I 34a_100000211634_100000729493 [0,2,0,0,0,0|1,0,0]=3 15391 B13R1.6 FCCCCOc1cccc(c1)I 7a_100000211634_100000729493 [0,2,0,0,0,0|1,0,0]=3 15392 B13R1.6 FCCCCOc1cccc(n1)F 34a_100011432558_100000729493 [0,2,0,0,0,0|2,0,0]=4 15393 B13R1.6 FCCCCOc1ccnc(c1)Cl 34a_100000762945_100000729493 [0,2,0,0,0,0|2,0,0]=4 15394 B13R1.6 FCCCCOc1ccnc(c1)F 34a_100000732698_100000729493 [0,2,0,0,0,0|2,0,0]=4 15395 B13R1.6 FCCCCOc1cncc(c1)Br 34a_100000754920_100000729493 [0,2,0,0,0,0|2,0,0]=4 15396 B13R1.6 FCCCCOc1cncc(c1)Br 7a_100000754920_100000729493 [0,2,0,0,0,0|2,0,0]=4 15397 B13R1.6 FCCCCOc1cncc(c1)Cl 7a_100000032511_100000729493 [0,2,0,0,0,0|2,0,0]=4 15398 B13R1.6 FCCCCOc1cncc(c1)F 34a_100011830296_100000729493 [0,2,0,0,0,0|2,0,0]=4 15399 B13R1.6 FCCCCOc1cncc(c1)F 7a_100011830296_100000729493 [0,2,0,0,0,0|2,0,0]=4 15400 B13R1.6 FCCCCSc1cc(ccn1)Cl 62a_100000729493_100010167805 [0,2,0,0,0,0|2,0,0]=4 15401 B13R1.6 FCCCCSc1cc(ccn1)Cl 62a_100010167805_100000729493 [0,2,0,0,0,0|2,0,0]=4 15402 B13R1.6 FCCCCSc1cc(ccn1)F 62a_100000729493_100000764206 [0,2,0,0,0,0|2,0,0]=4 15403 B13R1.6 FCCCCSc1cc(ccn1)F 62a_100000764206_100000729493 [0,2,0,0,0,0|2,0,0]=4 15404 B13R1.6 FCCCCSc1cccc(c1)Br 62a_100000691529_100000729493 [0,2,0,0,0,0|1,0,0]=3 15405 B13R1.6 FCCCCSc1cccc(c1)Br 62a_100000729493_100000691529 [0,2,0,0,0,0|1,0,0]=3 15406 B13R1.6 FCCCCSc1cccc(c1)Cl 62a_100000699651_100000729493 [0,2,0,0,0,0|1,0,0]=3 15407 B13R1.6 FCCCCSc1cccc(c1)Cl 62a_100000729493_100000699651 [0,2,0,0,0,0|1,0,0]=3 15408 B13R1.6 FCCCCSc1cccc(c1)F 62a_100000685547_100000729493 [0,2,0,0,0,0|1,0,0]=3 15409 B13R1.6 FCCCCSc1cccc(c1)F 62a_100000729493_100000685547 [0,2,0,0,0,0|1,0,0]=3 15410 B13R1.6 FCCCCSc1cccc(c1)[S] 62a_100000729493_114929384022 [0,2,0,0,0,0|1,0,0]=3 15411 B13R1.6 FCCCCSc1cccc(c1)[S] 62a_114929384022_100000729493 [0,2,0,0,0,0|1,0,0]=3 15412 B13R1.6 FCCCCSc1cccc(n1)Br 62a_100000684672_100000729493 [0,2,0,0,0,0|2,0,0]=4 15413 B13R1.6 FCCCCSc1cccc(n1)Br 62a_100000729493_100000684672 [0,2,0,0,0,0|2,0,0]=4 15414 B13R1.6 FCCCCSc1cccc(n1)Cl 62a_100000051397_100000729493 [0,2,0,0,0,0|2,0,0]=4 15415 B13R1.6 FCCCCSc1cccc(n1)Cl 62a_100000729493_100000051397 [0,2,0,0,0,0|2,0,0]=4 15416 B13R1.6 FCCCCSc1cccc(n1)F 62a_100000729493_100009815982 [0,2,0,0,0,0|2,0,0]=4 15417 B13R1.6 FCCCCSc1cccc(n1)F 62a_100009815982_100000729493 [0,2,0,0,0,0|2,0,0]=4 15418 B13R1.6 FCCCCSc1ccnc(c1)Br 62a_100000729493_100009814637 [0,2,0,0,0,0|2,0,0]=4 15419 B13R1.6 FCCCCSc1ccnc(c1)Br 62a_100009814637_100000729493 [0,2,0,0,0,0|2,0,0]=4 15420 B13R1.6 FCCCCSc1ccnc(c1)Cl 62a_100000035001_100000729493 [0,2,0,0,0,0|2,0,0]=4 15421 B13R1.6 FCCCCSc1ccnc(c1)Cl 62a_100000729493_100000035001 [0,2,0,0,0,0|2,0,0]=4 15422 B13R1.6 FCCCCSc1ccnc(c1)F 62a_100000729493_100009816116 [0,2,0,0,0,0|2,0,0]=4 15423 B13R1.6 FCCCCSc1ccnc(c1)F 62a_100009816116_100000729493 [0,2,0,0,0,0|2,0,0]=4 15424 B13R1.6 FCCCCSc1cncc(c1)Br 62a_100000728054_100000729493 [0,2,0,0,0,0|2,0,0]=4 15425 B13R1.6 FCCCCSc1cncc(c1)Br 62a_100000729493_100000728054 [0,2,0,0,0,0|2,0,0]=4 15426 B13R1.6 FCCCCSc1cncc(c1)Cl 62a_100000049639_100000729493 [0,2,0,0,0,0|2,0,0]=4 15427 B13R1.6 FCCCCSc1cncc(c1)Cl 62a_100000729493_100000049639 [0,2,0,0,0,0|2,0,0]=4 15428 B13R1.6 FCCCCSc1cncc(c1)F 62a_100000729493_100000744099 [0,2,0,0,0,0|2,0,0]=4 15429 B13R1.6 FCCCCSc1cncc(c1)F 62a_100000744099_100000729493 [0,2,0,0,0,0|2,0,0]=4 15430 B13R1.6 FCCCNCc1cc(ccn1)Br 2230a_100015189416_100010173614 [0,2,0,0,0,0|2,0,0]=4 15431 B13R1.6 FCCCNCc1cc(ccn1)Br 270004a_100015189416_100009818557 [0,2,0,0,0,0|2,0,0]=4 15432 B13R1.6 FCCCNCc1cc(ccn1)Br 34a_100015189416_100010173614 [0,2,0,0,0,0|2,0,0]=4 15433 B13R1.6 FCCCNCc1cc(ccn1)Cl 2230a_100015189416_100016988179 [0,2,0,0,0,0|2,0,0]=4 15434 B13R1.6 FCCCNCc1cc(ccn1)Cl 270004a_100015189416_100011998288 [0,2,0,0,0,0|2,0,0]=4 15435 B13R1.6 FCCCNCc1cc(ccn1)Cl 34a_100015189416_100016988179 [0,2,0,0,0,0|2,0,0]=4 15436 B13R1.6 FCCCNCc1cccc(c1)Br 207a_100015189416_100000210085 [0,2,0,0,0,0|1,0,0]=3 15437 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100000174977_100011934791 [0,2,0,0,0,0|1,0,0]=3 15438 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100015189416_100000698116 [0,2,0,0,0,0|1,0,0]=3 15439 B13R1.6 FCCCNCc1cccc(c1)Br 270004a_100015189416_100000210085 [0,2,0,0,0,0|1,0,0]=3 15440 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100000174977_100011934791 [0,2,0,0,0,0|1,0,0]=3 15441 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100015189416_100000698116 [0,2,0,0,0,0|1,0,0]=3 15442 B13R1.6 FCCCNCc1cccc(c1)Cl 207a_100015189416_100000210801 [0,2,0,0,0,0|1,0,0]=3 15443 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100000174878_100011934791 [0,2,0,0,0,0|1,0,0]=3 15444 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100015189416_100000181238 [0,2,0,0,0,0|1,0,0]=3 15445 B13R1.6 FCCCNCc1cccc(c1)Cl 270004a_100015189416_100000210801 [0,2,0,0,0,0|1,0,0]=3 15446 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100000174878_100011934791 [0,2,0,0,0,0|1,0,0]=3 15447 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100015189416_100000187163 [0,2,0,0,0,0|1,0,0]=3 15448 B13R1.6 FCCCNCc1cccc(c1)F 207a_100015189416_100000210812 [0,2,0,0,0,0|1,0,0]=3 15449 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100000174948_100011934791 [0,2,0,0,0,0|1,0,0]=3 15450 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100015189416_100000230114 [0,2,0,0,0,0|1,0,0]=3 15451 B13R1.6 FCCCNCc1cccc(c1)F 270004a_100015189416_100000210812 [0,2,0,0,0,0|1,0,0]=3 15452 B13R1.6 FCCCNCc1cccc(c1)F 34a_100000174948_100011934791 [0,2,0,0,0,0|1,0,0]=3 15453 B13R1.6 FCCCNCc1cccc(c1)F 34a_100015189416_100000187166 [0,2,0,0,0,0|1,0,0]=3 15454 B13R1.6 FCCCNCc1cccc(c1)I 207a_100015189416_100000014684 [0,2,0,0,0,0|1,0,0]=3 15455 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100000106179_100011934791 [0,2,0,0,0,0|1,0,0]=3 15456 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100015189416_100011218688 [0,2,0,0,0,0|1,0,0]=3 15457 B13R1.6 FCCCNCc1cccc(c1)I 270004a_100015189416_100000014684 [0,2,0,0,0,0|1,0,0]=3 15458 B13R1.6 FCCCNCc1cccc(c1)I 34a_100000106179_100011934791 [0,2,0,0,0,0|1,0,0]=3 15459 B13R1.6 FCCCNCc1cccc(c1)I 34a_100015189416_100011218688 [0,2,0,0,0,0|1,0,0]=3 15460 B13R1.6 FCCCNCc1cccc(n1)Br 2230a_100015189416_100009889011 [0,2,0,0,0,0|2,0,0]=4 15461 B13R1.6 FCCCNCc1cccc(n1)Br 2230a_100016987751_100011934791 [0,2,0,0,0,0|2,0,0]=4 15462 B13R1.6 FCCCNCc1cccc(n1)Br 270004a_100015189416_100000688028 [0,2,0,0,0,0|2,0,0]=4 15463 B13R1.6 FCCCNCc1cccc(n1)Br 34a_100015189416_100009889011 [0,2,0,0,0,0|2,0,0]=4 15464 B13R1.6 FCCCNCc1cccc(n1)Cl 2230a_100015189416_100000086093 [0,2,0,0,0,0|2,0,0]=4 15465 B13R1.6 FCCCNCc1cccc(n1)Cl 2230a_100016990191_100011934791 [0,2,0,0,0,0|2,0,0]=4 15466 B13R1.6 FCCCNCc1cccc(n1)Cl 270004a_100015189416_100011361687 [0,2,0,0,0,0|2,0,0]=4 15467 B13R1.6 FCCCNCc1cccc(n1)Cl 34a_100015189416_100000086093 [0,2,0,0,0,0|2,0,0]=4 15468 B13R1.6 FCCCNCc1cccc(n1)F 2230a_100015188798_100011934791 [0,2,0,0,0,0|2,0,0]=4 15469 B13R1.6 FCCCNCc1cccc(n1)F 2230a_100015189416_100009819644 [0,2,0,0,0,0|2,0,0]=4 15470 B13R1.6 FCCCNCc1cccc(n1)F 270004a_100015189416_100000050434 [0,2,0,0,0,0|2,0,0]=4 15471 B13R1.6 FCCCNCc1cccc(n1)F 34a_100015188798_100011934791 [0,2,0,0,0,0|2,0,0]=4 15472 B13R1.6 FCCCNCc1cccc(n1)F 34a_100015189416_100009819644 [0,2,0,0,0,0|2,0,0]=4 15473 B13R1.6 FCCCNCc1ccnc(c1)Br 2230a_100015189416_100010243470 [0,2,0,0,0,0|2,0,0]=4 15474 B13R1.6 FCCCNCc1ccnc(c1)Br 2230a_100025757509_100011934791 [0,2,0,0,0,0|2,0,0]=4 15475 B13R1.6 FCCCNCc1ccnc(c1)Br 270004a_100015189416_100009814634 [0,2,0,0,0,0|2,0,0]=4 15476 B13R1.6 FCCCNCc1ccnc(c1)Br 34a_100015189416_100010243470 [0,2,0,0,0,0|2,0,0]=4 15477 B13R1.6 FCCCNCc1ccnc(c1)Br 34a_100025757509_100011934791 [0,2,0,0,0,0|2,0,0]=4 15478 B13R1.6 FCCCNCc1ccnc(c1)Cl 2230a_100015189416_100000764220 [0,2,0,0,0,0|2,0,0]=4 15479 B13R1.6 FCCCNCc1ccnc(c1)Cl 2230a_100015205668_100011934791 [0,2,0,0,0,0|2,0,0]=4 15480 B13R1.6 FCCCNCc1ccnc(c1)Cl 270004a_100015189416_100011290808 [0,2,0,0,0,0|2,0,0]=4 15481 B13R1.6 FCCCNCc1ccnc(c1)Cl 34a_100015189416_100000764220 [0,2,0,0,0,0|2,0,0]=4 15482 B13R1.6 FCCCNCc1ccnc(c1)Cl 34a_100015205668_100011934791 [0,2,0,0,0,0|2,0,0]=4 15483 B13R1.6 FCCCNCc1ccnc(c1)F 2230a_100015188774_100011934791 [0,2,0,0,0,0|2,0,0]=4 15484 B13R1.6 FCCCNCc1ccnc(c1)F 270004a_100015189416_100000068331 [0,2,0,0,0,0|2,0,0]=4 15485 B13R1.6 FCCCNCc1ccnc(c1)F 34a_100015188774_100011934791 [0,2,0,0,0,0|2,0,0]=4 15486 B13R1.6 FCCCNCc1cncc(c1)Br 207a_100015189416_100000687066 [0,2,0,0,0,0|2,0,0]=4 15487 B13R1.6 FCCCNCc1cncc(c1)Br 2230a_100015189416_100000738771 [0,2,0,0,0,0|2,0,0]=4 15488 B13R1.6 FCCCNCc1cncc(c1)Br 270004a_100015189416_100000687066 [0,2,0,0,0,0|2,0,0]=4 15489 B13R1.6 FCCCNCc1cncc(c1)Br 34a_100015189416_100000738771 [0,2,0,0,0,0|2,0,0]=4 15490 B13R1.6 FCCCNCc1cncc(c1)Cl 207a_100015189416_100000088910 [0,2,0,0,0,0|2,0,0]=4 15491 B13R1.6 FCCCNCc1cncc(c1)Cl 2230a_100015189416_100016992070 [0,2,0,0,0,0|2,0,0]=4 15492 B13R1.6 FCCCNCc1cncc(c1)Cl 2230a_200020614424_100011934791 [0,2,0,0,0,0|2,0,0]=4 15493 B13R1.6 FCCCNCc1cncc(c1)Cl 270004a_100015189416_100000088910 [0,2,0,0,0,0|2,0,0]=4 15494 B13R1.6 FCCCNCc1cncc(c1)Cl 34a_100015189416_100016992070 [0,2,0,0,0,0|2,0,0]=4 15495 B13R1.6 FCCCNCc1cncc(c1)F 207a_100015189416_100011361476 [0,2,0,0,0,0|2,0,0]=4 15496 B13R1.6 FCCCNCc1cncc(c1)F 2230a_100011962886_100011934791 [0,2,0,0,0,0|2,0,0]=4 15497 B13R1.6 FCCCNCc1cncc(c1)F 2230a_100015189416_100000725299 [0,2,0,0,0,0|2,0,0]=4 15498 B13R1.6 FCCCNCc1cncc(c1)F 270004a_100015189416_100011361476 [0,2,0,0,0,0|2,0,0]=4 15499 B13R1.6 FCCCNCc1cncc(c1)F 34a_100011962886_100011934791 [0,2,0,0,0,0|2,0,0]=4 15500 B13R1.6 FCCCNCc1cncc(c1)F 34a_100015189416_100000725299 [0,2,0,0,0,0|2,0,0]=4 15501 B13R1.6 FCCCOCc1cc(ccn1)Br 34a_100000759539_100010173614 [0,2,0,0,0,0|2,0,0]=4 15502 B13R1.6 FCCCOCc1cc(ccn1)Cl 34a_100000748867_100011934791 [0,2,0,0,0,0|2,0,0]=4 15503 B13R1.6 FCCCOCc1cc(ccn1)Cl 34a_100000759539_100016988179 [0,2,0,0,0,0|2,0,0]=4 15504 B13R1.6 FCCCOCc1cccc(c1)Br 34a_100000687537_100011934791 [0,2,0,0,0,0|1,0,0]=3 15505 B13R1.6 FCCCOCc1cccc(c1)Br 34a_100000759539_100000698116 [0,2,0,0,0,0|1,0,0]=3 15506 B13R1.6 FCCCOCc1cccc(c1)Br 7a_100000687537_100011934791 [0,2,0,0,0,0|1,0,0]=3 15507 B13R1.6 FCCCOCc1cccc(c1)Cl 34a_100000241301_100011934791 [0,2,0,0,0,0|1,0,0]=3 15508 B13R1.6 FCCCOCc1cccc(c1)Cl 34a_100000759539_100000187163 [0,2,0,0,0,0|1,0,0]=3 15509 B13R1.6 FCCCOCc1cccc(c1)Cl 7a_100000241301_100011934791 [0,2,0,0,0,0|1,0,0]=3 15510 B13R1.6 FCCCOCc1cccc(c1)F 34a_100000210976_100011934791 [0,2,0,0,0,0|1,0,0]=3 15511 B13R1.6 FCCCOCc1cccc(c1)F 34a_100000759539_100000187166 [0,2,0,0,0,0|1,0,0]=3 15512 B13R1.6 FCCCOCc1cccc(c1)F 7a_100000210976_100011934791 [0,2,0,0,0,0|1,0,0]=3 15513 B13R1.6 FCCCOCc1cccc(c1)I 34a_100000759539_100011218688 [0,2,0,0,0,0|1,0,0]=3 15514 B13R1.6 FCCCOCc1cccc(c1)I 34a_100011215336_100011934791 [0,2,0,0,0,0|1,0,0]=3 15515 B13R1.6 FCCCOCc1cccc(c1)I 7a_100011215336_100011934791 [0,2,0,0,0,0|1,0,0]=3 15516 B13R1.6 FCCCOCc1cccc(n1)Br 34a_100000694195_100011934791 [0,2,0,0,0,0|2,0,0]=4 15517 B13R1.6 FCCCOCc1cccc(n1)Br 34a_100000759539_100009889011 [0,2,0,0,0,0|2,0,0]=4 15518 B13R1.6 FCCCOCc1cccc(n1)Cl 34a_100000759539_100000086093 [0,2,0,0,0,0|2,0,0]=4 15519 B13R1.6 FCCCOCc1cccc(n1)Cl 34a_100011998359_100011934791 [0,2,0,0,0,0|2,0,0]=4 15520 B13R1.6 FCCCOCc1cccc(n1)F 34a_100000086748_100011934791 [0,2,0,0,0,0|2,0,0]=4 15521 B13R1.6 FCCCOCc1cccc(n1)F 34a_100000759539_100009819644 [0,2,0,0,0,0|2,0,0]=4 15522 B13R1.6 FCCCOCc1ccnc(c1)Br 34a_100000759539_100010243470 [0,2,0,0,0,0|2,0,0]=4 15523 B13R1.6 FCCCOCc1ccnc(c1)Br 34a_100009814636_100011934791 [0,2,0,0,0,0|2,0,0]=4 15524 B13R1.6 FCCCOCc1ccnc(c1)Br 7a_100009814636_100011934791 [0,2,0,0,0,0|2,0,0]=4 15525 B13R1.6 FCCCOCc1ccnc(c1)Cl 34a_100000748751_100011934791 [0,2,0,0,0,0|2,0,0]=4 15526 B13R1.6 FCCCOCc1ccnc(c1)Cl 34a_100000759539_100000764220 [0,2,0,0,0,0|2,0,0]=4 15527 B13R1.6 FCCCOCc1ccnc(c1)F 34a_100000082451_100011934791 [0,2,0,0,0,0|2,0,0]=4 15528 B13R1.6 FCCCOCc1cncc(c1)Br 34a_100000759539_100000738771 [0,2,0,0,0,0|2,0,0]=4 15529 B13R1.6 FCCCOCc1cncc(c1)Br 34a_100011259137_100011934791 [0,2,0,0,0,0|2,0,0]=4 15530 B13R1.6 FCCCOCc1cncc(c1)Br 7a_100011259137_100011934791 [0,2,0,0,0,0|2,0,0]=4 15531 B13R1.6 FCCCOCc1cncc(c1)Cl 34a_100000092867_100011934791 [0,2,0,0,0,0|2,0,0]=4 15532 B13R1.6 FCCCOCc1cncc(c1)Cl 34a_100000759539_100016992070 [0,2,0,0,0,0|2,0,0]=4 15533 B13R1.6 FCCCOCc1cncc(c1)Cl 7a_100000092867_100011934791 [0,2,0,0,0,0|2,0,0]=4 15534 B13R1.6 FCCCOCc1cncc(c1)F 34a_100000759539_100000725299 [0,2,0,0,0,0|2,0,0]=4 15535 B13R1.6 FCCCOCc1cncc(c1)F 34a_100011962875_100011934791 [0,2,0,0,0,0|2,0,0]=4 15536 B13R1.6 FCCCOCc1cncc(c1)F 7a_100011962875_100011934791 [0,2,0,0,0,0|2,0,0]=4 15537 B13R1.6 FCCCSCc1cc(ccn1)Br 62a_100010173614_100011934791 [0,2,0,0,0,0|2,0,0]=4 15538 B13R1.6 FCCCSCc1cc(ccn1)Br 62a_100011934791_100010173614 [0,2,0,0,0,0|2,0,0]=4 15539 B13R1.6 FCCCSCc1cc(ccn1)Cl 62a_100011934791_100016988179 [0,2,0,0,0,0|2,0,0]=4 15540 B13R1.6 FCCCSCc1cc(ccn1)Cl 62a_100016988179_100011934791 [0,2,0,0,0,0|2,0,0]=4 15541 B13R1.6 FCCCSCc1cccc(c1)Br 62a_100000211773_100011934791 [0,2,0,0,0,0|1,0,0]=3 15542 B13R1.6 FCCCSCc1cccc(c1)Br 62a_100011934791_100000211773 [0,2,0,0,0,0|1,0,0]=3 15543 B13R1.6 FCCCSCc1cccc(c1)Cl 62a_100000187163_100011934791 [0,2,0,0,0,0|1,0,0]=3 15544 B13R1.6 FCCCSCc1cccc(c1)Cl 62a_100011934791_100000187163 [0,2,0,0,0,0|1,0,0]=3 15545 B13R1.6 FCCCSCc1cccc(c1)F 62a_100000230114_100011934791 [0,2,0,0,0,0|1,0,0]=3 15546 B13R1.6 FCCCSCc1cccc(c1)F 62a_100011934791_100000230114 [0,2,0,0,0,0|1,0,0]=3 15547 B13R1.6 FCCCSCc1cccc(c1)I 62a_100011218688_100011934791 [0,2,0,0,0,0|1,0,0]=3 15548 B13R1.6 FCCCSCc1cccc(c1)I 62a_100011934791_100011218688 [0,2,0,0,0,0|1,0,0]=3 15549 B13R1.6 FCCCSCc1cccc(n1)Br 62a_100009889011_100011934791 [0,2,0,0,0,0|2,0,0]=4 15550 B13R1.6 FCCCSCc1cccc(n1)Br 62a_100011934791_100009889011 [0,2,0,0,0,0|2,0,0]=4 15551 B13R1.6 FCCCSCc1cccc(n1)Cl 62a_100000086093_100011934791 [0,2,0,0,0,0|2,0,0]=4 15552 B13R1.6 FCCCSCc1cccc(n1)Cl 62a_100011934791_100000086093 [0,2,0,0,0,0|2,0,0]=4 15553 B13R1.6 FCCCSCc1cccc(n1)F 62a_100009819644_100011934791 [0,2,0,0,0,0|2,0,0]=4 15554 B13R1.6 FCCCSCc1cccc(n1)F 62a_100011934791_100009819644 [0,2,0,0,0,0|2,0,0]=4 15555 B13R1.6 FCCCSCc1ccnc(c1)Br 62a_100010254460_100011934791 [0,2,0,0,0,0|2,0,0]=4 15556 B13R1.6 FCCCSCc1ccnc(c1)Br 62a_100011934791_100010243470 [0,2,0,0,0,0|2,0,0]=4 15557 B13R1.6 FCCCSCc1ccnc(c1)Cl 62a_100000764220_100011934791 [0,2,0,0,0,0|2,0,0]=4 15558 B13R1.6 FCCCSCc1ccnc(c1)Cl 62a_100011934791_100000764220 [0,2,0,0,0,0|2,0,0]=4 15559 B13R1.6 FCCCSCc1cncc(c1)Br 62a_100000738771_100011934791 [0,2,0,0,0,0|2,0,0]=4 15560 B13R1.6 FCCCSCc1cncc(c1)Br 62a_100011934791_100000738771 [0,2,0,0,0,0|2,0,0]=4 15561 B13R1.6 FCCCSCc1cncc(c1)Cl 62a_100011934791_100016992070 [0,2,0,0,0,0|2,0,0]=4 15562 B13R1.6 FCCCSCc1cncc(c1)Cl 62a_100016992070_100011934791 [0,2,0,0,0,0|2,0,0]=4 15563 B13R1.6 FCCCSCc1cncc(c1)F 62a_100000725299_100011934791 [0,2,0,0,0,0|2,0,0]=4 15564 B13R1.6 FCCCSCc1cncc(c1)F 62a_100011934791_100000725299 [0,2,0,0,0,0|2,0,0]=4 15565 B13R1.6 FCCNCCc1cccc(c1)Br 2230a_100011207229_100011217306 [0,2,0,0,0,0|1,0,0]=3 15566 B13R1.6 FCCNCCc1cccc(c1)Br 34a_100000724931_100011740638 [0,2,0,0,0,0|1,0,0]=3 15567 B13R1.6 FCCNCCc1cccc(c1)Br 34a_100011207229_100011217306 [0,2,0,0,0,0|1,0,0]=3 15568 B13R1.6 FCCNCCc1cccc(c1)Cl 2230a_100000185263_100011217306 [0,2,0,0,0,0|1,0,0]=3 15569 B13R1.6 FCCNCCc1cccc(c1)Cl 34a_100000185263_100011217306 [0,2,0,0,0,0|1,0,0]=3 15570 B13R1.6 FCCNCCc1cccc(c1)Cl 34a_100000724931_100011713710 [0,2,0,0,0,0|1,0,0]=3 15571 B13R1.6 FCCNCCc1cccc(c1)F 2230a_100000205154_100011217306 [0,2,0,0,0,0|1,0,0]=3 15572 B13R1.6 FCCNCCc1cccc(c1)F 34a_100000205154_100011217306 [0,2,0,0,0,0|1,0,0]=3 15573 B13R1.6 FCCNCCc1cccc(c1)F 34a_100000724931_100011217235 [0,2,0,0,0,0|1,0,0]=3 15574 B13R1.6 FCCOCCc1cccc(c1)Br 34a_100011217444_100011217306 [0,2,0,0,0,0|1,0,0]=3 15575 B13R1.6 FCCOCCc1cccc(c1)Br 7a_100011217444_100011217306 [0,2,0,0,0,0|1,0,0]=3 15576 B13R1.6 FCCOCCc1cccc(c1)Cl 34a_100000754733_100011217306 [0,2,0,0,0,0|1,0,0]=3 15577 B13R1.6 FCCOCCc1cccc(c1)Cl 7a_100000754733_100011217306 [0,2,0,0,0,0|1,0,0]=3 15578 B13R1.6 FCCOCCc1cccc(c1)F 34a_100000763591_100011217306 [0,2,0,0,0,0|1,0,0]=3 15579 B13R1.6 FCCOCCc1cccc(c1)F 7a_100000763591_100011217306 [0,2,0,0,0,0|1,0,0]=3 15580 B13R1.6 FCCOCCc1cccc(n1)Br 34a_100010221043_100011217306 [0,2,0,0,0,0|2,0,0]=4 15581 B13R1.6 FCCOCCc1cccc(n1)Br 7a_100010221043_100011217306 [0,2,0,0,0,0|2,0,0]=4 15582 B13R1.6 FCCSCCc1cccc(c1)Br 62a_100011217306_100011740638 [0,2,0,0,0,0|1,0,0]=3 15583 B13R1.6 FCCSCCc1cccc(c1)Br 62a_100011740638_100011217306 [0,2,0,0,0,0|1,0,0]=3 15584 B13R1.6 FCCSCCc1cccc(c1)Cl 62a_100011217306_100011713710 [0,2,0,0,0,0|1,0,0]=3 15585 B13R1.6 FCCSCCc1cccc(c1)Cl 62a_100011713710_100011217306 [0,2,0,0,0,0|1,0,0]=3 15586 B13R1.6 FCCSCCc1cccc(c1)F 62a_100011217235_100011217306 [0,2,0,0,0,0|1,0,0]=3 15587 B13R1.6 FCCSCCc1cccc(c1)F 62a_100011217306_100011217235 [0,2,0,0,0,0|1,0,0]=3 15588 B13R1.6 FCNCCCc1cccc(c1)Br 34a_100000753791_100015361967 [0,2,0,0,0,0|1,0,0]=3 15589 B13R1.6 FCNCCCc1cccc(c1)Cl 34a_100000704586_100015361967 [0,2,0,0,0,0|1,0,0]=3 15590 B13R1.6 FCNCCCc1cccc(c1)F 34a_100000754185_100015361967 [0,2,0,0,0,0|1,0,0]=3 15591 B13R1.6 FCNCCOc1cccc(c1)Br 34a_100000743521_100015361967 [0,2,0,0,0,0|2,0,0]=4 15592 B13R1.6 FCNCCOc1cccc(c1)Cl 34a_100000740232_100015361967 [0,2,0,0,0,0|2,0,0]=4 15593 B13R1.6 FCNCCOc1cccc(c1)F 34a_100000738948_100015361967 [0,2,0,0,0,0|2,0,0]=4 15594 B13R1.6 FCOCCCc1cccc(c1)Br 34a_100011709248_100015361967 [0,2,0,0,0,0|1,0,0]=3 15595 B13R1.6 FCOCCCc1cccc(c1)Br 7a_100011709248_100015361967 [0,2,0,0,0,0|1,0,0]=3 15596 B13R1.6 FCOCCCc1cccc(c1)Cl 34a_100011709246_100015361967 [0,2,0,0,0,0|1,0,0]=3 15597 B13R1.6 FCOCCCc1cccc(c1)Cl 7a_100011709246_100015361967 [0,2,0,0,0,0|1,0,0]=3 15598 B13R1.6 FCOCCOc1cccc(c1)Br 34a_100000757546_100015361967 [0,2,0,0,0,0|2,0,0]=4 15599 B13R1.6 FCOCCOc1cccc(c1)Br 7a_100000757546_100015361967 [0,2,0,0,0,0|2,0,0]=4 15600 B13R1.6 FCOCCOc1cccc(c1)Cl 34a_100000230539_100015361967 [0,2,0,0,0,0|2,0,0]=4 15601 B13R1.6 FCOCCOc1cccc(c1)Cl 7a_100000230539_100015361967 [0,2,0,0,0,0|2,0,0]=4 15602 B13R1.6 FCOCCSc1cccc(c1)Br 7a_200011756134_100015361967 [0,2,0,0,0,0|2,0,0]=4 15603 B13R1.6 FCOCCSc1cccc(c1)Cl 34a_200011721761_100015361967 [0,2,0,0,0,0|2,0,0]=4 15604 B13R1.6 FCOCCSc1cccc(c1)Cl 7a_200011721761_100015361967 [0,2,0,0,0,0|2,0,0]=4 15605 B13R1.6 FCOCCSc1cccc(c1)F 34a_200011996949_100015361967 [0,2,0,0,0,0|2,0,0]=4 15606 B13R1.6 FCOCCSc1cccc(c1)F 7a_200011996949_100015361967 [0,2,0,0,0,0|2,0,0]=4 15607 B13R1.6 FCSCCCc1cccc(c1)Br 62a_100011713683_100015361967 [0,2,0,0,0,0|1,0,0]=3 15608 B13R1.6 FCSCCCc1cccc(c1)Br 62a_100015361967_100011713683 [0,2,0,0,0,0|1,0,0]=3 15609 B13R1.6 FCSCCCc1cccc(c1)F 62a_100015361967_200000698031 [0,2,0,0,0,0|1,0,0]=3 15610 B13R1.6 FCSCCCc1cccc(c1)F 62a_200000698031_100015361967 [0,2,0,0,0,0|1,0,0]=3 15611 B13R1.6 FCSCCOc1cccc(c1)Br 62a_100000183150_100015361967 [0,2,0,0,0,0|2,0,0]=4 15612 B13R1.6 FCSCCOc1cccc(c1)Br 62a_100015361967_100000183150 [0,2,0,0,0,0|2,0,0]=4 15613 B13R1.6 FCSCCOc1cccc(c1)Cl 62a_100000181161_100015361967 [0,2,0,0,0,0|2,0,0]=4 15614 B13R1.6 FCSCCOc1cccc(c1)Cl 62a_100015361967_100000181161 [0,2,0,0,0,0|2,0,0]=4 15615 B13R1.6 FCSCCOc1cccc(c1)F 62a_100000739188_100015361967 [0,2,0,0,0,0|2,0,0]=4 15616 B13R1.6 FCSCCOc1cccc(c1)F 62a_100015361967_100000739188 [0,2,0,0,0,0|2,0,0]=4 15617 B13R1.6 Fc1cccc(c1)CCOCCBr 34a_100000211926_100011217235 [0,2,0,0,0,0|1,0,0]=3 15618 B13R1.6 Fc1cccc(c1)COCCCBr 34a_100011217188_100000187166 [0,2,0,0,0,0|1,0,0]=3 15619 B13R1.6 Fc1cccc(c1)COCCCCl 34a_100000230001_100000187166 [0,2,0,0,0,0|1,0,0]=3 15620 B13R1.6 Fc1cccc(n1)COCCCBr 34a_100011217188_100009819644 [0,2,0,0,0,0|2,0,0]=4 15621 B13R1.6 Fc1cccc(n1)COCCCCl 34a_100000230001_100009819644 [0,2,0,0,0,0|2,0,0]=4 15622 B13R1.6 Fc1cncc(c1)COCCCBr 34a_100011217188_100000725299 [0,2,0,0,0,0|2,0,0]=4 15623 B13R1.6 Fc1cncc(c1)COCCCCl 34a_100000230001_100000725299 [0,2,0,0,0,0|2,0,0]=4 15624 B13R1.6 N#CCCCOc1cccc(c1)Br 7a_100000210342_100000687738 [0,2,0,0,0,0|0,0,2]=4 15625 B13R1.6 N#CCCCOc1cccc(c1)Cl 7a_100000210295_100000687738 [0,2,0,0,0,0|0,0,2]=4 15626 B13R1.6 N#CCCCOc1cccc(c1)F 7a_100000210426_100000687738 [0,2,0,0,0,0|0,0,2]=4 15627 B13R1.6 N#CCCCOc1cccc(c1)I 7a_100000211634_100000687738 [0,2,0,0,0,0|0,0,2]=4 15628 B13R1.6 N#CCCCSc1cccc(c1)Br 62a_100000687738_100000691529 [0,2,0,0,0,0|0,0,2]=4 15629 B13R1.6 N#CCCCSc1cccc(c1)Br 62a_100000691529_100000687738 [0,2,0,0,0,0|0,0,2]=4 15630 B13R1.6 N#CCCCSc1cccc(c1)Cl 62a_100000687738_100000699651 [0,2,0,0,0,0|0,0,2]=4 15631 B13R1.6 N#CCCCSc1cccc(c1)Cl 62a_100000699651_100000687738 [0,2,0,0,0,0|0,0,2]=4 15632 B13R1.6 N#CCCCSc1cccc(c1)F 62a_100000685547_100000687738 [0,2,0,0,0,0|0,0,2]=4 15633 B13R1.6 N#CCCCSc1cccc(c1)F 62a_100000687738_100000685547 [0,2,0,0,0,0|0,0,2]=4 15634 B13R1.6 N#CCCCSc1cccc(c1)N 62a_100000210019_100000687738 [0,2,0,0,0,0|0,0,2]=4 15635 B13R1.6 N#CCCCSc1cccc(c1)N 62a_100000687738_100000210019 [0,2,0,0,0,0|0,0,2]=4 15636 B13R1.6 N#CCCCSc1cccc(c1)O 62a_100000687738_100000211634 [0,2,0,0,0,0|0,0,2]=4 15637 B13R1.6 N#CCCCSc1cccc(c1)[S] 62a_100000687738_114929384022 [0,2,0,0,0,0|0,0,2]=4 15638 B13R1.6 N#CCCCSc1cccc(c1)[S] 62a_114929384022_100000687738 [0,2,0,0,0,0|0,0,2]=4 15639 B13R1.6 N#CCCNCc1cccc(c1)Br 2230a_100000174977_100011215226 [0,2,0,0,0,0|0,0,2]=4 15640 B13R1.6 N#CCCNCc1cccc(c1)Br 270004a_100000720768_100000210085 [0,2,0,0,0,0|0,0,2]=4 15641 B13R1.6 N#CCCNCc1cccc(c1)Cl 2230a_100000174878_100011215226 [0,2,0,0,0,0|0,0,2]=4 15642 B13R1.6 N#CCCNCc1cccc(c1)Cl 270004a_100000720768_100000210801 [0,2,0,0,0,0|0,0,2]=4 15643 B13R1.6 N#CCCNCc1cccc(c1)F 2230a_100000174948_100011215226 [0,2,0,0,0,0|0,0,2]=4 15644 B13R1.6 N#CCCNCc1cccc(c1)F 270004a_100000720768_100000210812 [0,2,0,0,0,0|0,0,2]=4 15645 B13R1.6 N#CCCNCc1cccc(c1)I 2230a_100000106179_100011215226 [0,2,0,0,0,0|0,0,2]=4 15646 B13R1.6 N#CCCNCc1cccc(c1)I 270004a_100000720768_100000014684 [0,2,0,0,0,0|0,0,2]=4 15647 B13R1.6 N#CCCNCc1cccc(c1)O 2230a_100000743036_100011215226 [0,2,0,0,0,0|0,0,2]=4 15648 B13R1.6 N#CCCNCc1cccc(c1)O 270004a_100000720768_100000188321 [0,2,0,0,0,0|0,0,2]=4 15649 B13R1.6 N#CCCOCc1cccc(c1)Br 7a_100000687537_100000184422 [0,2,0,0,0,0|0,0,2]=4 15650 B13R1.6 N#CCCOCc1cccc(c1)Cl 7a_100000241301_100000184422 [0,2,0,0,0,0|0,0,2]=4 15651 B13R1.6 N#CCCOCc1cccc(c1)F 7a_100000210976_100000184422 [0,2,0,0,0,0|0,0,2]=4 15652 B13R1.6 N#CCCOCc1cccc(c1)I 7a_100011215336_100000184422 [0,2,0,0,0,0|0,0,2]=4 15653 B13R1.6 N#CCCSCc1cccc(c1)Br 62a_100000211773_100011215226 [0,2,0,0,0,0|0,0,2]=4 15654 B13R1.6 N#CCCSCc1cccc(c1)Br 62a_100011215226_100000211773 [0,2,0,0,0,0|0,0,2]=4 15655 B13R1.6 N#CCCSCc1cccc(c1)Cl 62a_100000187163_100011215226 [0,2,0,0,0,0|0,0,2]=4 15656 B13R1.6 N#CCCSCc1cccc(c1)Cl 62a_100011215226_100000187163 [0,2,0,0,0,0|0,0,2]=4 15657 B13R1.6 N#CCCSCc1cccc(c1)F 62a_100000230114_100011215226 [0,2,0,0,0,0|0,0,2]=4 15658 B13R1.6 N#CCCSCc1cccc(c1)F 62a_100011215226_100000230114 [0,2,0,0,0,0|0,0,2]=4 15659 B13R1.6 N#CCCSCc1cccc(c1)I 62a_100011215226_100011218688 [0,2,0,0,0,0|0,0,2]=4 15660 B13R1.6 N#CCCSCc1cccc(c1)I 62a_100011218688_100011215226 [0,2,0,0,0,0|0,0,2]=4 15661 B13R1.6 N#CCCSCc1cccc(c1)O 62a_100011215226_100011660834 [0,2,0,0,0,0|0,0,2]=4 15662 B13R1.6 N#CCCSCc1cccc(c1)O 62a_100011660834_100011215226 [0,2,0,0,0,0|0,0,2]=4 15663 B13R1.6 N#CCNCCc1cccc(c1)Br 2230a_100011207229_100011215382 [0,2,0,0,0,0|0,0,2]=4 15664 B13R1.6 N#CCNCCc1cccc(c1)Cl 2230a_100000185263_100011215382 [0,2,0,0,0,0|0,0,2]=4 15665 B13R1.6 N#CCNCCc1cccc(c1)F 2230a_100000205154_100011215382 [0,2,0,0,0,0|0,0,2]=4 15666 B13R1.6 N#CCNCCc1cccc(c1)O 2230a_100000747277_100011215382 [0,2,0,0,0,0|0,0,2]=4 15667 B13R1.6 N#CCOCCc1cccc(c1)Br 7a_100011217444_100011215382 [0,2,0,0,0,0|0,0,2]=4 15668 B13R1.6 N#CCOCCc1cccc(c1)Cl 7a_100000754733_100011215382 [0,2,0,0,0,0|0,0,2]=4 15669 B13R1.6 N#CCOCCc1cccc(c1)F 7a_100000763591_100011215382 [0,2,0,0,0,0|0,0,2]=4 15670 B13R1.6 N#CCSCCc1cccc(c1)Br 62a_100011215382_100011740638 [0,2,0,0,0,0|0,0,2]=4 15671 B13R1.6 N#CCSCCc1cccc(c1)Br 62a_100011740638_100011215382 [0,2,0,0,0,0|0,0,2]=4 15672 B13R1.6 N#CCSCCc1cccc(c1)Cl 62a_100011215382_100011713710 [0,2,0,0,0,0|0,0,2]=4 15673 B13R1.6 N#CCSCCc1cccc(c1)Cl 62a_100011713710_100011215382 [0,2,0,0,0,0|0,0,2]=4 15674 B13R1.6 N#CCSCCc1cccc(c1)F 62a_100011215382_100011217235 [0,2,0,0,0,0|0,0,2]=4 15675 B13R1.6 N#CCSCCc1cccc(c1)F 62a_100011217235_100011215382 [0,2,0,0,0,0|0,0,2]=4 15676 B13R1.6 NCCCOCc1cc(ccn1)Br 34a_100000182051_100010173614 [0,2,0,0,0,0|1,0,0]=3 15677 B13R1.6 NCCCOCc1cc(ccn1)Cl 34a_100000182051_100016988179 [0,2,0,0,0,0|1,0,0]=3 15678 B13R1.6 NCCCOCc1cccc(c1)Br 34a_100000182051_100000698116 [0,2,0,0,0,0|0,0,0]=2 15679 B13R1.6 NCCCOCc1cccc(c1)Cl 34a_100000182051_100000187163 [0,2,0,0,0,0|0,0,0]=2 15680 B13R1.6 NCCCOCc1cccc(c1)F 34a_100000182051_100000187166 [0,2,0,0,0,0|0,0,0]=2 15681 B13R1.6 NCCCOCc1cccc(c1)I 34a_100000182051_100011218688 [0,2,0,0,0,0|0,0,0]=2 15682 B13R1.6 NCCCOCc1cccc(c1)O 34a_100000182051_100011660834 [0,2,0,0,0,0|0,0,0]=2 15683 B13R1.6 NCCCOCc1cccc(n1)Br 34a_100000182051_100009889011 [0,2,0,0,0,0|1,0,0]=3 15684 B13R1.6 NCCCOCc1cccc(n1)Cl 34a_100000182051_100000086093 [0,2,0,0,0,0|1,0,0]=3 15685 B13R1.6 NCCCOCc1cccc(n1)F 34a_100000182051_100009819644 [0,2,0,0,0,0|1,0,0]=3 15686 B13R1.6 NCCCOCc1ccnc(c1)Br 34a_100000182051_100010243470 [0,2,0,0,0,0|1,0,0]=3 15687 B13R1.6 NCCCOCc1ccnc(c1)Cl 34a_100000182051_100000764220 [0,2,0,0,0,0|1,0,0]=3 15688 B13R1.6 NCCCOCc1ccnc(n1)Cl 34a_100000182051_100000099655 [0,2,0,0,0,0|2,0,0]=4 15689 B13R1.6 NCCCOCc1cncc(c1)Br 34a_100000182051_100000738771 [0,2,0,0,0,0|1,0,0]=3 15690 B13R1.6 NCCCOCc1cncc(c1)Cl 34a_100000182051_100016992070 [0,2,0,0,0,0|1,0,0]=3 15691 B13R1.6 NCCCOCc1cncc(c1)F 34a_100000182051_100000725299 [0,2,0,0,0,0|1,0,0]=3 15692 B13R1.6 NCCOCCc1cccc(c1)Br 34a_100000210304_100011740638 [0,2,0,0,0,0|0,0,0]=2 15693 B13R1.6 NCCOCCc1cccc(c1)Cl 34a_100000210304_100011713710 [0,2,0,0,0,0|0,0,0]=2 15694 B13R1.6 NCCOCCc1cccc(c1)F 34a_100000210304_100011217235 [0,2,0,0,0,0|0,0,0]=2 15695 B13R1.6 NOCCOCc1cc(ccn1)Br 34a_100000700252_100010173614 [0,2,0,0,0,0|2,0,0]=4 15696 B13R1.6 NOCCOCc1cc(ccn1)Cl 34a_100000700252_100016988179 [0,2,0,0,0,0|2,0,0]=4 15697 B13R1.6 NOCCOCc1cccc(c1)Br 34a_100000700252_100000698116 [0,2,0,0,0,0|1,0,0]=3 15698 B13R1.6 NOCCOCc1cccc(c1)Cl 34a_100000700252_100000187163 [0,2,0,0,0,0|1,0,0]=3 15699 B13R1.6 NOCCOCc1cccc(c1)F 34a_100000700252_100000187166 [0,2,0,0,0,0|1,0,0]=3 15700 B13R1.6 NOCCOCc1cccc(c1)I 34a_100000700252_100011218688 [0,2,0,0,0,0|1,0,0]=3 15701 B13R1.6 NOCCOCc1cccc(c1)O 34a_100000700252_100011660834 [0,2,0,0,0,0|1,0,0]=3 15702 B13R1.6 NOCCOCc1cccc(n1)Br 34a_100000700252_100009889011 [0,2,0,0,0,0|2,0,0]=4 15703 B13R1.6 NOCCOCc1cccc(n1)Cl 34a_100000700252_100000086093 [0,2,0,0,0,0|2,0,0]=4 15704 B13R1.6 NOCCOCc1cccc(n1)F 34a_100000700252_100009819644 [0,2,0,0,0,0|2,0,0]=4 15705 B13R1.6 NOCCOCc1ccnc(c1)Br 34a_100000700252_100010243470 [0,2,0,0,0,0|2,0,0]=4 15706 B13R1.6 NOCCOCc1ccnc(c1)Cl 34a_100000700252_100000764220 [0,2,0,0,0,0|2,0,0]=4 15707 B13R1.6 NOCCOCc1cncc(c1)Br 34a_100000700252_100000738771 [0,2,0,0,0,0|2,0,0]=4 15708 B13R1.6 NOCCOCc1cncc(c1)Cl 34a_100000700252_100016992070 [0,2,0,0,0,0|2,0,0]=4 15709 B13R1.6 NOCCOCc1cncc(c1)F 34a_100000700252_100000725299 [0,2,0,0,0,0|2,0,0]=4 15710 B13R1.6 Nc1cc(ccn1)OCCCCF 34a_100011834064_100000729493 [0,2,0,0,0,0|2,0,0]=4 15711 B13R1.6 Nc1cc(ccn1)OCCCCO 34a_100011834064_100011216708 [0,2,0,0,0,0|2,0,0]=4 15712 B13R1.6 Nc1cc(ccn1)SCCCCF 62a_100000049665_100000729493 [0,2,0,0,0,0|2,0,0]=4 15713 B13R1.6 Nc1cc(ccn1)SCCCCF 62a_100000729493_100000049665 [0,2,0,0,0,0|2,0,0]=4 15714 B13R1.6 Nc1cc(ccn1)SCCCCO 62a_100000049665_100000210776 [0,2,0,0,0,0|2,0,0]=4 15715 B13R1.6 Nc1cc(ccn1)SCCCCO 62a_100000210776_100000049665 [0,2,0,0,0,0|2,0,0]=4 15716 B13R1.6 Nc1cccc(c1)CCCOCF 34a_200000698965_100015361967 [0,2,0,0,0,0|1,0,0]=3 15717 B13R1.6 Nc1cccc(c1)CCCOCF 7a_200000698965_100015361967 [0,2,0,0,0,0|1,0,0]=3 15718 B13R1.6 Nc1cccc(c1)CCOCC=O 34a_100011996697_200009817547 [0,2,0,0,0,0|1,0,1]=4 15719 B13R1.6 Nc1cccc(c1)CCOCCF 34a_100011996697_100011217306 [0,2,0,0,0,0|1,0,0]=3 15720 B13R1.6 Nc1cccc(c1)CCOCCO 34a_100011996697_100000211926 [0,2,0,0,0,0|1,0,0]=3 15721 B13R1.6 Nc1cccc(c1)COCCCF 34a_100000211919_100011934791 [0,2,0,0,0,0|1,0,0]=3 15722 B13R1.6 Nc1cccc(c1)COCCCO 34a_100000211919_100000230001 [0,2,0,0,0,0|1,0,0]=3 15723 B13R1.6 Nc1cccc(c1)OCCCCF 34a_100000210217_100000729493 [0,2,0,0,0,0|1,0,0]=3 15724 B13R1.6 Nc1cccc(c1)OCCCCO 34a_100000210217_100011216708 [0,2,0,0,0,0|1,0,0]=3 15725 B13R1.6 Nc1cccc(c1)OCCOCF 34a_100011232151_100015361967 [0,2,0,0,0,0|2,0,0]=4 15726 B13R1.6 Nc1cccc(c1)SCCCC=O 62a_100000210019_200011292268 [0,2,0,0,0,0|1,0,1]=4 15727 B13R1.6 Nc1cccc(c1)SCCCC=O 62a_200011292268_100000210019 [0,2,0,0,0,0|1,0,1]=4 15728 B13R1.6 Nc1cccc(c1)SCCCCF 62a_100000210019_100000729493 [0,2,0,0,0,0|1,0,0]=3 15729 B13R1.6 Nc1cccc(c1)SCCCCF 62a_100000729493_100000210019 [0,2,0,0,0,0|1,0,0]=3 15730 B13R1.6 Nc1cccc(c1)SCCCCO 62a_100000210019_100000210776 [0,2,0,0,0,0|1,0,0]=3 15731 B13R1.6 Nc1cccc(c1)SCCCCO 62a_100000210776_100000210019 [0,2,0,0,0,0|1,0,0]=3 15732 B13R1.6 Nc1cccc(n1)SCCCCF 62a_100000729493_100000740741 [0,2,0,0,0,0|2,0,0]=4 15733 B13R1.6 Nc1cccc(n1)SCCCCF 62a_100000740741_100000729493 [0,2,0,0,0,0|2,0,0]=4 15734 B13R1.6 Nc1cccc(n1)SCCCCO 62a_100000210776_100000740741 [0,2,0,0,0,0|2,0,0]=4 15735 B13R1.6 Nc1cccc(n1)SCCCCO 62a_100000740741_100000210776 [0,2,0,0,0,0|2,0,0]=4 15736 B13R1.6 Nc1ccnc(c1)COCCCF 34a_100000692640_100011934791 [0,2,0,0,0,0|2,0,0]=4 15737 B13R1.6 Nc1ccnc(c1)COCCCO 34a_100000692640_100000230001 [0,2,0,0,0,0|2,0,0]=4 15738 B13R1.6 Nc1ccnc(c1)SCCCCF 62a_100000729493_100009814236 [0,2,0,0,0,0|2,0,0]=4 15739 B13R1.6 Nc1ccnc(c1)SCCCCF 62a_100009814236_100000729493 [0,2,0,0,0,0|2,0,0]=4 15740 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100000210776_100009814236 [0,2,0,0,0,0|2,0,0]=4 15741 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100009814236_100000210776 [0,2,0,0,0,0|2,0,0]=4 15742 B13R1.6 Nc1cncc(c1)COCCCF 34a_100000085308_100011934791 [0,2,0,0,0,0|2,0,0]=4 15743 B13R1.6 Nc1cncc(c1)COCCCO 34a_100000085308_100000230001 [0,2,0,0,0,0|2,0,0]=4 15744 B13R1.6 Nc1cncc(c1)OCCCCF 34a_100011997051_100000729493 [0,2,0,0,0,0|2,0,0]=4 15745 B13R1.6 Nc1cncc(c1)OCCCCO 34a_100011997051_100011216708 [0,2,0,0,0,0|2,0,0]=4 15746 B13R1.6 Nc1cncc(c1)SCCCCF 62a_100000687067_100000729493 [0,2,0,0,0,0|2,0,0]=4 15747 B13R1.6 Nc1cncc(c1)SCCCCF 62a_100000729493_100000687067 [0,2,0,0,0,0|2,0,0]=4 15748 B13R1.6 Nc1cncc(c1)SCCCCO 62a_100000210776_100000687067 [0,2,0,0,0,0|2,0,0]=4 15749 B13R1.6 Nc1cncc(c1)SCCCCO 62a_100000687067_100000210776 [0,2,0,0,0,0|2,0,0]=4 15750 B13R1.6 O=CCCCOc1cccc(c1)Br 7a_100000210342_200011292268 [0,2,0,0,0,0|1,0,1]=4 15751 B13R1.6 O=CCCCOc1cccc(c1)Cl 7a_100000210295_200011292268 [0,2,0,0,0,0|1,0,1]=4 15752 B13R1.6 O=CCCCOc1cccc(c1)F 7a_100000210426_200011292268 [0,2,0,0,0,0|1,0,1]=4 15753 B13R1.6 O=CCCCOc1cccc(c1)I 7a_100000211634_200011292268 [0,2,0,0,0,0|1,0,1]=4 15754 B13R1.6 O=CCCCSc1cccc(c1)Br 62a_100000691529_200011292268 [0,2,0,0,0,0|1,0,1]=4 15755 B13R1.6 O=CCCCSc1cccc(c1)Br 62a_200011292268_100000691529 [0,2,0,0,0,0|1,0,1]=4 15756 B13R1.6 O=CCCCSc1cccc(c1)Cl 62a_100000699651_200011292268 [0,2,0,0,0,0|1,0,1]=4 15757 B13R1.6 O=CCCCSc1cccc(c1)Cl 62a_200011292268_100000699651 [0,2,0,0,0,0|1,0,1]=4 15758 B13R1.6 O=CCCCSc1cccc(c1)F 62a_100000685547_200011292268 [0,2,0,0,0,0|1,0,1]=4 15759 B13R1.6 O=CCCCSc1cccc(c1)F 62a_200011292268_100000685547 [0,2,0,0,0,0|1,0,1]=4 15760 B13R1.6 O=CCCCSc1cccc(c1)O 62a_200011292268_100000211634 [0,2,0,0,0,0|1,0,1]=4 15761 B13R1.6 O=CCCCSc1cccc(c1)[S] 62a_114929384022_200011292268 [0,2,0,0,0,0|1,0,1]=4 15762 B13R1.6 O=CCCCSc1cccc(c1)[S] 62a_200011292268_114929384022 [0,2,0,0,0,0|1,0,1]=4 15763 B13R1.6 O=CCNCCc1cccc(c1)Br 2230a_100011207229_200015260668 [0,2,0,0,0,0|1,0,1]=4 15764 B13R1.6 O=CCNCCc1cccc(c1)Br 34a_100011207229_200009817547 [0,2,0,0,0,0|1,0,1]=4 15765 B13R1.6 O=CCNCCc1cccc(c1)Cl 2230a_100000185263_200015260668 [0,2,0,0,0,0|1,0,1]=4 15766 B13R1.6 O=CCNCCc1cccc(c1)Cl 34a_100000185263_200009817547 [0,2,0,0,0,0|1,0,1]=4 15767 B13R1.6 O=CCNCCc1cccc(c1)F 2230a_100000205154_200015260668 [0,2,0,0,0,0|1,0,1]=4 15768 B13R1.6 O=CCNCCc1cccc(c1)F 34a_100000205154_200009817547 [0,2,0,0,0,0|1,0,1]=4 15769 B13R1.6 O=CCNCCc1cccc(c1)O 2230a_100000747277_200015260668 [0,2,0,0,0,0|1,0,1]=4 15770 B13R1.6 O=CCNCCc1cccc(c1)O 34a_100000747277_200009817547 [0,2,0,0,0,0|1,0,1]=4 15771 B13R1.6 O=CCOCCc1cccc(c1)Br 34a_100011217444_200009817547 [0,2,0,0,0,0|1,0,1]=4 15772 B13R1.6 O=CCOCCc1cccc(c1)Br 7a_100011217444_200015260668 [0,2,0,0,0,0|1,0,1]=4 15773 B13R1.6 O=CCOCCc1cccc(c1)Cl 34a_100000754733_200009817547 [0,2,0,0,0,0|1,0,1]=4 15774 B13R1.6 O=CCOCCc1cccc(c1)Cl 7a_100000754733_200015260668 [0,2,0,0,0,0|1,0,1]=4 15775 B13R1.6 O=CCOCCc1cccc(c1)F 34a_100000763591_200009817547 [0,2,0,0,0,0|1,0,1]=4 15776 B13R1.6 O=CCOCCc1cccc(c1)F 7a_100000763591_200015260668 [0,2,0,0,0,0|1,0,1]=4 15777 B13R1.6 O=CCSCCc1cccc(c1)Br 62a_100011740638_200015260668 [0,2,0,0,0,0|1,0,1]=4 15778 B13R1.6 O=CCSCCc1cccc(c1)Br 62a_200015260668_100011740638 [0,2,0,0,0,0|1,0,1]=4 15779 B13R1.6 O=CCSCCc1cccc(c1)Cl 62a_100011713710_200015260668 [0,2,0,0,0,0|1,0,1]=4 15780 B13R1.6 O=CCSCCc1cccc(c1)Cl 62a_200015260668_100011713710 [0,2,0,0,0,0|1,0,1]=4 15781 B13R1.6 O=CCSCCc1cccc(c1)F 62a_100011217235_200015260668 [0,2,0,0,0,0|1,0,1]=4 15782 B13R1.6 O=CCSCCc1cccc(c1)F 62a_200015260668_100011217235 [0,2,0,0,0,0|1,0,1]=4 15783 B13R1.6 O=c1cc(cc[nH]1)NCCCCO 27a_100000750430_100000061649 [0,2,0,0,0,0|2,0,0]=4 15784 B13R1.6 O=c1cc(cc[nH]1)OCCCCF 34a_100000032262_100000729493 [0,2,0,0,0,0|2,0,0]=4 15785 B13R1.6 O=c1cc(cc[nH]1)OCCCCO 34a_100000032262_100011216708 [0,2,0,0,0,0|2,0,0]=4 15786 B13R1.6 O=c1cc(cc[nH]1)SCCCCF 62a_100000729493_100009816521 [0,2,0,0,0,0|2,0,0]=4 15787 B13R1.6 O=c1cc(cc[nH]1)SCCCCF 62a_100009816521_100000729493 [0,2,0,0,0,0|2,0,0]=4 15788 B13R1.6 O=c1cc(cc[nH]1)SCCCCO 62a_100000210776_100009816521 [0,2,0,0,0,0|2,0,0]=4 15789 B13R1.6 O=c1cc(cc[nH]1)SCCCCO 62a_100009816521_100000210776 [0,2,0,0,0,0|2,0,0]=4 15790 B13R1.6 O=c1cc[nH]c(c1)SCCCCF 62a_100009817434_100000729493 [0,2,0,0,0,0|2,0,0]=4 15791 B13R1.6 O=c1cc[nH]c(c1)SCCCCO 62a_100009817434_100000210776 [0,2,0,0,0,0|2,0,0]=4 15792 B13R1.6 O=c1cccc([nH]1)CNCCCF 207a_100015189416_100011935257 [0,2,0,0,0,0|2,0,0]=4 15793 B13R1.6 O=c1cccc([nH]1)CNCCCF 2230a_100000696482_100011934791 [0,2,0,0,0,0|2,0,0]=4 15794 B13R1.6 O=c1cccc([nH]1)CNCCCO 207a_100000182051_100011935257 [0,2,0,0,0,0|2,0,0]=4 15795 B13R1.6 O=c1cccc([nH]1)CNCCCO 2230a_100000696482_100000230001 [0,2,0,0,0,0|2,0,0]=4 15796 B13R1.6 O=c1cccc([nH]1)OCCCCF 34a_100000033347_100000729493 [0,2,0,0,0,0|2,0,0]=4 15797 B13R1.6 O=c1cccc([nH]1)OCCCCO 34a_100000033347_100011216708 [0,2,0,0,0,0|2,0,0]=4 15798 B13R1.6 O=c1cccc([nH]1)SCCCCF 62a_100000729493_100000752884 [0,2,0,0,0,0|2,0,0]=4 15799 B13R1.6 O=c1cccc([nH]1)SCCCCO 62a_100000210776_100000752884 [0,2,0,0,0,0|2,0,0]=4 15800 B13R1.6 OCCCCNc1cc(ccn1)F 27a_100000750430_100000764206 [0,2,0,0,0,0|2,0,0]=4 15801 B13R1.6 OCCCCNc1cccc(c1)Br 34a_100000210019_100011216708 [0,2,0,0,0,0|1,0,0]=3 15802 B13R1.6 OCCCCNc1cccc(c1)Cl 34a_100000185859_100011216708 [0,2,0,0,0,0|1,0,0]=3 15803 B13R1.6 OCCCCNc1cccc(c1)F 34a_100000210047_100011216708 [0,2,0,0,0,0|1,0,0]=3 15804 B13R1.6 OCCCCNc1cccc(c1)I 34a_100000211102_100011216708 [0,2,0,0,0,0|1,0,0]=3 15805 B13R1.6 OCCCCNc1cccc(c1)O 34a_100000210217_100011216708 [0,2,0,0,0,0|1,0,0]=3 15806 B13R1.6 OCCCCNc1cccc(n1)F 27a_100000750430_100009815982 [0,2,0,0,0,0|2,0,0]=4 15807 B13R1.6 OCCCCNc1ccnc(c1)F 27a_100000750430_100009816116 [0,2,0,0,0,0|2,0,0]=4 15808 B13R1.6 OCCCCOc1cccc(c1)Br 34a_100000210342_100011216708 [0,2,0,0,0,0|1,0,0]=3 15809 B13R1.6 OCCCCOc1cccc(c1)Br 7a_100000210342_100000210776 [0,2,0,0,0,0|1,0,0]=3 15810 B13R1.6 OCCCCOc1cccc(c1)Cl 34a_100000210295_100011216708 [0,2,0,0,0,0|1,0,0]=3 15811 B13R1.6 OCCCCOc1cccc(c1)Cl 7a_100000210295_100000210776 [0,2,0,0,0,0|1,0,0]=3 15812 B13R1.6 OCCCCOc1cccc(c1)F 34a_100000210426_100011216708 [0,2,0,0,0,0|1,0,0]=3 15813 B13R1.6 OCCCCOc1cccc(c1)F 7a_100000210426_100000210776 [0,2,0,0,0,0|1,0,0]=3 15814 B13R1.6 OCCCCOc1cccc(c1)I 34a_100000211634_100011216708 [0,2,0,0,0,0|1,0,0]=3 15815 B13R1.6 OCCCCOc1cccc(c1)I 7a_100000211634_100000210776 [0,2,0,0,0,0|1,0,0]=3 15816 B13R1.6 OCCCCOc1cccc(n1)F 34a_100011432558_100011216708 [0,2,0,0,0,0|2,0,0]=4 15817 B13R1.6 OCCCCOc1ccnc(c1)Cl 34a_100000762945_100011216708 [0,2,0,0,0,0|2,0,0]=4 15818 B13R1.6 OCCCCOc1ccnc(c1)F 34a_100000732698_100011216708 [0,2,0,0,0,0|2,0,0]=4 15819 B13R1.6 OCCCCOc1cncc(c1)Br 34a_100000754920_100011216708 [0,2,0,0,0,0|2,0,0]=4 15820 B13R1.6 OCCCCOc1cncc(c1)Br 7a_100000754920_100000210776 [0,2,0,0,0,0|2,0,0]=4 15821 B13R1.6 OCCCCOc1cncc(c1)Cl 7a_100000032511_100000210776 [0,2,0,0,0,0|2,0,0]=4 15822 B13R1.6 OCCCCOc1cncc(c1)F 34a_100011830296_100011216708 [0,2,0,0,0,0|2,0,0]=4 15823 B13R1.6 OCCCCOc1cncc(c1)F 7a_100011830296_100000210776 [0,2,0,0,0,0|2,0,0]=4 15824 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100000210776_100010167805 [0,2,0,0,0,0|2,0,0]=4 15825 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210776 [0,2,0,0,0,0|2,0,0]=4 15826 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000210776_100000764206 [0,2,0,0,0,0|2,0,0]=4 15827 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000764206_100000210776 [0,2,0,0,0,0|2,0,0]=4 15828 B13R1.6 OCCCCSc1cc(ccn1)O 62a_100000210776_100000762945 [0,2,0,0,0,0|2,0,0]=4 15829 B13R1.6 OCCCCSc1cccc(c1)Br 62a_100000210776_100000691529 [0,2,0,0,0,0|1,0,0]=3 15830 B13R1.6 OCCCCSc1cccc(c1)Br 62a_100000691529_100000210776 [0,2,0,0,0,0|1,0,0]=3 15831 B13R1.6 OCCCCSc1cccc(c1)Cl 62a_100000210776_100000699651 [0,2,0,0,0,0|1,0,0]=3 15832 B13R1.6 OCCCCSc1cccc(c1)Cl 62a_100000699651_100000210776 [0,2,0,0,0,0|1,0,0]=3 15833 B13R1.6 OCCCCSc1cccc(c1)F 62a_100000210776_100000685547 [0,2,0,0,0,0|1,0,0]=3 15834 B13R1.6 OCCCCSc1cccc(c1)F 62a_100000685547_100000210776 [0,2,0,0,0,0|1,0,0]=3 15835 B13R1.6 OCCCCSc1cccc(c1)O 62a_100000210776_100000211634 [0,2,0,0,0,0|1,0,0]=3 15836 B13R1.6 OCCCCSc1cccc(c1)[S] 62a_100000210776_114929384022 [0,2,0,0,0,0|1,0,0]=3 15837 B13R1.6 OCCCCSc1cccc(c1)[S] 62a_114929384022_100000210776 [0,2,0,0,0,0|1,0,0]=3 15838 B13R1.6 OCCCCSc1cccc(n1)Br 62a_100000210776_100000684672 [0,2,0,0,0,0|2,0,0]=4 15839 B13R1.6 OCCCCSc1cccc(n1)Br 62a_100000684672_100000210776 [0,2,0,0,0,0|2,0,0]=4 15840 B13R1.6 OCCCCSc1cccc(n1)Cl 62a_100000051397_100000210776 [0,2,0,0,0,0|2,0,0]=4 15841 B13R1.6 OCCCCSc1cccc(n1)Cl 62a_100000210776_100000051397 [0,2,0,0,0,0|2,0,0]=4 15842 B13R1.6 OCCCCSc1cccc(n1)F 62a_100000210776_100009815982 [0,2,0,0,0,0|2,0,0]=4 15843 B13R1.6 OCCCCSc1cccc(n1)F 62a_100009815982_100000210776 [0,2,0,0,0,0|2,0,0]=4 15844 B13R1.6 OCCCCSc1ccnc(c1)Br 62a_100000210776_100009814637 [0,2,0,0,0,0|2,0,0]=4 15845 B13R1.6 OCCCCSc1ccnc(c1)Br 62a_100009814637_100000210776 [0,2,0,0,0,0|2,0,0]=4 15846 B13R1.6 OCCCCSc1ccnc(c1)Cl 62a_100000035001_100000210776 [0,2,0,0,0,0|2,0,0]=4 15847 B13R1.6 OCCCCSc1ccnc(c1)Cl 62a_100000210776_100000035001 [0,2,0,0,0,0|2,0,0]=4 15848 B13R1.6 OCCCCSc1ccnc(c1)F 62a_100000210776_100009816116 [0,2,0,0,0,0|2,0,0]=4 15849 B13R1.6 OCCCCSc1ccnc(c1)F 62a_100009816116_100000210776 [0,2,0,0,0,0|2,0,0]=4 15850 B13R1.6 OCCCCSc1cncc(c1)Br 62a_100000210776_100000728054 [0,2,0,0,0,0|2,0,0]=4 15851 B13R1.6 OCCCCSc1cncc(c1)Br 62a_100000728054_100000210776 [0,2,0,0,0,0|2,0,0]=4 15852 B13R1.6 OCCCCSc1cncc(c1)Cl 62a_100000049639_100000210776 [0,2,0,0,0,0|2,0,0]=4 15853 B13R1.6 OCCCCSc1cncc(c1)Cl 62a_100000210776_100000049639 [0,2,0,0,0,0|2,0,0]=4 15854 B13R1.6 OCCCCSc1cncc(c1)F 62a_100000210776_100000744099 [0,2,0,0,0,0|2,0,0]=4 15855 B13R1.6 OCCCCSc1cncc(c1)F 62a_100000744099_100000210776 [0,2,0,0,0,0|2,0,0]=4 15856 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000210776_100000754920 [0,2,0,0,0,0|2,0,0]=4 15857 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000754920_100000210776 [0,2,0,0,0,0|2,0,0]=4 15858 B13R1.6 OCCCNCc1cc(ccn1)Br 270004a_100000182051_100009818557 [0,2,0,0,0,0|2,0,0]=4 15859 B13R1.6 OCCCNCc1cc(ccn1)Cl 270004a_100000182051_100011998288 [0,2,0,0,0,0|2,0,0]=4 15860 B13R1.6 OCCCNCc1cccc(c1)Br 207a_100000182051_100000210085 [0,2,0,0,0,0|1,0,0]=3 15861 B13R1.6 OCCCNCc1cccc(c1)Br 2230a_100000174977_100000230001 [0,2,0,0,0,0|1,0,0]=3 15862 B13R1.6 OCCCNCc1cccc(c1)Br 270004a_100000182051_100000210085 [0,2,0,0,0,0|1,0,0]=3 15863 B13R1.6 OCCCNCc1cccc(c1)Br 34a_100000174977_100000230001 [0,2,0,0,0,0|1,0,0]=3 15864 B13R1.6 OCCCNCc1cccc(c1)Cl 207a_100000182051_100000210801 [0,2,0,0,0,0|1,0,0]=3 15865 B13R1.6 OCCCNCc1cccc(c1)Cl 2230a_100000174878_100000230001 [0,2,0,0,0,0|1,0,0]=3 15866 B13R1.6 OCCCNCc1cccc(c1)Cl 270004a_100000182051_100000210801 [0,2,0,0,0,0|1,0,0]=3 15867 B13R1.6 OCCCNCc1cccc(c1)Cl 34a_100000174878_100000230001 [0,2,0,0,0,0|1,0,0]=3 15868 B13R1.6 OCCCNCc1cccc(c1)F 207a_100000182051_100000210812 [0,2,0,0,0,0|1,0,0]=3 15869 B13R1.6 OCCCNCc1cccc(c1)F 2230a_100000174948_100000230001 [0,2,0,0,0,0|1,0,0]=3 15870 B13R1.6 OCCCNCc1cccc(c1)F 270004a_100000182051_100000210812 [0,2,0,0,0,0|1,0,0]=3 15871 B13R1.6 OCCCNCc1cccc(c1)F 34a_100000174948_100000230001 [0,2,0,0,0,0|1,0,0]=3 15872 B13R1.6 OCCCNCc1cccc(c1)I 207a_100000182051_100000014684 [0,2,0,0,0,0|1,0,0]=3 15873 B13R1.6 OCCCNCc1cccc(c1)I 2230a_100000106179_100000230001 [0,2,0,0,0,0|1,0,0]=3 15874 B13R1.6 OCCCNCc1cccc(c1)I 270004a_100000182051_100000014684 [0,2,0,0,0,0|1,0,0]=3 15875 B13R1.6 OCCCNCc1cccc(c1)I 34a_100000106179_100000230001 [0,2,0,0,0,0|1,0,0]=3 15876 B13R1.6 OCCCNCc1cccc(c1)O 207a_100000182051_100000188321 [0,2,0,0,0,0|1,0,0]=3 15877 B13R1.6 OCCCNCc1cccc(c1)O 2230a_100000743036_100000230001 [0,2,0,0,0,0|1,0,0]=3 15878 B13R1.6 OCCCNCc1cccc(c1)O 270004a_100000182051_100000188321 [0,2,0,0,0,0|1,0,0]=3 15879 B13R1.6 OCCCNCc1cccc(c1)O 34a_100000743036_100000230001 [0,2,0,0,0,0|1,0,0]=3 15880 B13R1.6 OCCCNCc1cccc(n1)Br 2230a_100016987751_100000230001 [0,2,0,0,0,0|2,0,0]=4 15881 B13R1.6 OCCCNCc1cccc(n1)Br 270004a_100000182051_100000688028 [0,2,0,0,0,0|2,0,0]=4 15882 B13R1.6 OCCCNCc1cccc(n1)Cl 2230a_100016990191_100000230001 [0,2,0,0,0,0|2,0,0]=4 15883 B13R1.6 OCCCNCc1cccc(n1)Cl 270004a_100000182051_100011361687 [0,2,0,0,0,0|2,0,0]=4 15884 B13R1.6 OCCCNCc1cccc(n1)F 2230a_100015188798_100000230001 [0,2,0,0,0,0|2,0,0]=4 15885 B13R1.6 OCCCNCc1cccc(n1)F 270004a_100000182051_100000050434 [0,2,0,0,0,0|2,0,0]=4 15886 B13R1.6 OCCCNCc1cccc(n1)F 34a_100015188798_100000230001 [0,2,0,0,0,0|2,0,0]=4 15887 B13R1.6 OCCCNCc1ccnc(c1)Br 2230a_100025757509_100000230001 [0,2,0,0,0,0|2,0,0]=4 15888 B13R1.6 OCCCNCc1ccnc(c1)Br 270004a_100000182051_100009814634 [0,2,0,0,0,0|2,0,0]=4 15889 B13R1.6 OCCCNCc1ccnc(c1)Br 34a_100025757509_100000230001 [0,2,0,0,0,0|2,0,0]=4 15890 B13R1.6 OCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000230001 [0,2,0,0,0,0|2,0,0]=4 15891 B13R1.6 OCCCNCc1ccnc(c1)Cl 270004a_100000182051_100011290808 [0,2,0,0,0,0|2,0,0]=4 15892 B13R1.6 OCCCNCc1ccnc(c1)Cl 34a_100015205668_100000230001 [0,2,0,0,0,0|2,0,0]=4 15893 B13R1.6 OCCCNCc1ccnc(c1)F 2230a_100015188774_100000230001 [0,2,0,0,0,0|2,0,0]=4 15894 B13R1.6 OCCCNCc1ccnc(c1)F 270004a_100000182051_100000068331 [0,2,0,0,0,0|2,0,0]=4 15895 B13R1.6 OCCCNCc1ccnc(c1)F 34a_100015188774_100000230001 [0,2,0,0,0,0|2,0,0]=4 15896 B13R1.6 OCCCNCc1ccnc(c1)O 207a_100000182051_100000688113 [0,2,0,0,0,0|2,0,0]=4 15897 B13R1.6 OCCCNCc1cncc(c1)Br 207a_100000182051_100000687066 [0,2,0,0,0,0|2,0,0]=4 15898 B13R1.6 OCCCNCc1cncc(c1)Br 270004a_100000182051_100000687066 [0,2,0,0,0,0|2,0,0]=4 15899 B13R1.6 OCCCNCc1cncc(c1)Cl 207a_100000182051_100000088910 [0,2,0,0,0,0|2,0,0]=4 15900 B13R1.6 OCCCNCc1cncc(c1)Cl 2230a_200020614424_100000230001 [0,2,0,0,0,0|2,0,0]=4 15901 B13R1.6 OCCCNCc1cncc(c1)Cl 270004a_100000182051_100000088910 [0,2,0,0,0,0|2,0,0]=4 15902 B13R1.6 OCCCNCc1cncc(c1)F 207a_100000182051_100011361476 [0,2,0,0,0,0|2,0,0]=4 15903 B13R1.6 OCCCNCc1cncc(c1)F 2230a_100011962886_100000230001 [0,2,0,0,0,0|2,0,0]=4 15904 B13R1.6 OCCCNCc1cncc(c1)F 270004a_100000182051_100011361476 [0,2,0,0,0,0|2,0,0]=4 15905 B13R1.6 OCCCNCc1cncc(c1)F 34a_100011962886_100000230001 [0,2,0,0,0,0|2,0,0]=4 15906 B13R1.6 OCCCNCc1cncc(c1)O 207a_100000182051_100012187055 [0,2,0,0,0,0|2,0,0]=4 15907 B13R1.6 OCCCNCc1cncc(c1)O 270004a_100000182051_100012187055 [0,2,0,0,0,0|2,0,0]=4 15908 B13R1.6 OCCCOCc1cc(ccn1)Cl 34a_100000748867_100000230001 [0,2,0,0,0,0|2,0,0]=4 15909 B13R1.6 OCCCOCc1cccc(c1)Br 34a_100000687537_100000230001 [0,2,0,0,0,0|1,0,0]=3 15910 B13R1.6 OCCCOCc1cccc(c1)Br 7a_100000687537_100011215043 [0,2,0,0,0,0|1,0,0]=3 15911 B13R1.6 OCCCOCc1cccc(c1)Cl 34a_100000241301_100000230001 [0,2,0,0,0,0|1,0,0]=3 15912 B13R1.6 OCCCOCc1cccc(c1)Cl 7a_100000241301_100011215043 [0,2,0,0,0,0|1,0,0]=3 15913 B13R1.6 OCCCOCc1cccc(c1)F 34a_100000210976_100000230001 [0,2,0,0,0,0|1,0,0]=3 15914 B13R1.6 OCCCOCc1cccc(c1)F 7a_100000210976_100011215043 [0,2,0,0,0,0|1,0,0]=3 15915 B13R1.6 OCCCOCc1cccc(c1)I 34a_100011215336_100000230001 [0,2,0,0,0,0|1,0,0]=3 15916 B13R1.6 OCCCOCc1cccc(c1)I 7a_100011215336_100011215043 [0,2,0,0,0,0|1,0,0]=3 15917 B13R1.6 OCCCOCc1cccc(n1)Br 34a_100000694195_100000230001 [0,2,0,0,0,0|2,0,0]=4 15918 B13R1.6 OCCCOCc1cccc(n1)Cl 34a_100011998359_100000230001 [0,2,0,0,0,0|2,0,0]=4 15919 B13R1.6 OCCCOCc1cccc(n1)F 34a_100000086748_100000230001 [0,2,0,0,0,0|2,0,0]=4 15920 B13R1.6 OCCCOCc1ccnc(c1)Br 34a_100009814636_100000230001 [0,2,0,0,0,0|2,0,0]=4 15921 B13R1.6 OCCCOCc1ccnc(c1)Br 7a_100009814636_100011215043 [0,2,0,0,0,0|2,0,0]=4 15922 B13R1.6 OCCCOCc1ccnc(c1)Cl 34a_100000748751_100000230001 [0,2,0,0,0,0|2,0,0]=4 15923 B13R1.6 OCCCOCc1ccnc(c1)F 34a_100000082451_100000230001 [0,2,0,0,0,0|2,0,0]=4 15924 B13R1.6 OCCCOCc1cncc(c1)Br 34a_100011259137_100000230001 [0,2,0,0,0,0|2,0,0]=4 15925 B13R1.6 OCCCOCc1cncc(c1)Br 7a_100011259137_100011215043 [0,2,0,0,0,0|2,0,0]=4 15926 B13R1.6 OCCCOCc1cncc(c1)Cl 34a_100000092867_100000230001 [0,2,0,0,0,0|2,0,0]=4 15927 B13R1.6 OCCCOCc1cncc(c1)Cl 7a_100000092867_100011215043 [0,2,0,0,0,0|2,0,0]=4 15928 B13R1.6 OCCCOCc1cncc(c1)F 34a_100011962875_100000230001 [0,2,0,0,0,0|2,0,0]=4 15929 B13R1.6 OCCCOCc1cncc(c1)F 7a_100011962875_100011215043 [0,2,0,0,0,0|2,0,0]=4 15930 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100010173614_100011215043 [0,2,0,0,0,0|2,0,0]=4 15931 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100011215043_100010173614 [0,2,0,0,0,0|2,0,0]=4 15932 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100011215043_100016988179 [0,2,0,0,0,0|2,0,0]=4 15933 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100016988179_100011215043 [0,2,0,0,0,0|2,0,0]=4 15934 B13R1.6 OCCCSCc1cccc(c1)Br 62a_100000211773_100011215043 [0,2,0,0,0,0|1,0,0]=3 15935 B13R1.6 OCCCSCc1cccc(c1)Br 62a_100011215043_100000211773 [0,2,0,0,0,0|1,0,0]=3 15936 B13R1.6 OCCCSCc1cccc(c1)Cl 62a_100000187163_100011215043 [0,2,0,0,0,0|1,0,0]=3 15937 B13R1.6 OCCCSCc1cccc(c1)Cl 62a_100011215043_100000187163 [0,2,0,0,0,0|1,0,0]=3 15938 B13R1.6 OCCCSCc1cccc(c1)F 62a_100000230114_100011215043 [0,2,0,0,0,0|1,0,0]=3 15939 B13R1.6 OCCCSCc1cccc(c1)F 62a_100011215043_100000230114 [0,2,0,0,0,0|1,0,0]=3 15940 B13R1.6 OCCCSCc1cccc(c1)I 62a_100011215043_100011218688 [0,2,0,0,0,0|1,0,0]=3 15941 B13R1.6 OCCCSCc1cccc(c1)I 62a_100011218688_100011215043 [0,2,0,0,0,0|1,0,0]=3 15942 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011215043_100011660834 [0,2,0,0,0,0|1,0,0]=3 15943 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011660834_100011215043 [0,2,0,0,0,0|1,0,0]=3 15944 B13R1.6 OCCCSCc1cccc(n1)Br 62a_100009889011_100011215043 [0,2,0,0,0,0|2,0,0]=4 15945 B13R1.6 OCCCSCc1cccc(n1)Br 62a_100011215043_100009889011 [0,2,0,0,0,0|2,0,0]=4 15946 B13R1.6 OCCCSCc1cccc(n1)Cl 62a_100000086093_100011215043 [0,2,0,0,0,0|2,0,0]=4 15947 B13R1.6 OCCCSCc1cccc(n1)Cl 62a_100011215043_100000086093 [0,2,0,0,0,0|2,0,0]=4 15948 B13R1.6 OCCCSCc1cccc(n1)F 62a_100009819644_100011215043 [0,2,0,0,0,0|2,0,0]=4 15949 B13R1.6 OCCCSCc1cccc(n1)F 62a_100011215043_100009819644 [0,2,0,0,0,0|2,0,0]=4 15950 B13R1.6 OCCCSCc1ccnc(c1)Br 62a_100010254460_100011215043 [0,2,0,0,0,0|2,0,0]=4 15951 B13R1.6 OCCCSCc1ccnc(c1)Br 62a_100011215043_100010243470 [0,2,0,0,0,0|2,0,0]=4 15952 B13R1.6 OCCCSCc1ccnc(c1)Cl 62a_100000764220_100011215043 [0,2,0,0,0,0|2,0,0]=4 15953 B13R1.6 OCCCSCc1ccnc(c1)Cl 62a_100011215043_100000764220 [0,2,0,0,0,0|2,0,0]=4 15954 B13R1.6 OCCCSCc1cncc(c1)Br 62a_100000738771_100011215043 [0,2,0,0,0,0|2,0,0]=4 15955 B13R1.6 OCCCSCc1cncc(c1)Br 62a_100011215043_100000738771 [0,2,0,0,0,0|2,0,0]=4 15956 B13R1.6 OCCCSCc1cncc(c1)Cl 62a_100011215043_100016992070 [0,2,0,0,0,0|2,0,0]=4 15957 B13R1.6 OCCCSCc1cncc(c1)Cl 62a_100016992070_100011215043 [0,2,0,0,0,0|2,0,0]=4 15958 B13R1.6 OCCCSCc1cncc(c1)F 62a_100000725299_100011215043 [0,2,0,0,0,0|2,0,0]=4 15959 B13R1.6 OCCCSCc1cncc(c1)F 62a_100011215043_100000725299 [0,2,0,0,0,0|2,0,0]=4 15960 B13R1.6 OCCNCCc1cccc(c1)Br 2230a_100011207229_100000211926 [0,2,0,0,0,0|1,0,0]=3 15961 B13R1.6 OCCNCCc1cccc(c1)Br 2230a_100016997473_100011740638 [0,2,0,0,0,0|1,0,0]=3 15962 B13R1.6 OCCNCCc1cccc(c1)Br 34a_100011207229_100000211926 [0,2,0,0,0,0|1,0,0]=3 15963 B13R1.6 OCCNCCc1cccc(c1)Br 34a_100016990907_100011740638 [0,2,0,0,0,0|1,0,0]=3 15964 B13R1.6 OCCNCCc1cccc(c1)Cl 2230a_100000185263_100000211926 [0,2,0,0,0,0|1,0,0]=3 15965 B13R1.6 OCCNCCc1cccc(c1)Cl 2230a_100016997473_100011713710 [0,2,0,0,0,0|1,0,0]=3 15966 B13R1.6 OCCNCCc1cccc(c1)Cl 34a_100000185263_100000211926 [0,2,0,0,0,0|1,0,0]=3 15967 B13R1.6 OCCNCCc1cccc(c1)Cl 34a_100016990907_100011713710 [0,2,0,0,0,0|1,0,0]=3 15968 B13R1.6 OCCNCCc1cccc(c1)F 2230a_100000205154_100000211926 [0,2,0,0,0,0|1,0,0]=3 15969 B13R1.6 OCCNCCc1cccc(c1)F 2230a_100016997473_100011217235 [0,2,0,0,0,0|1,0,0]=3 15970 B13R1.6 OCCNCCc1cccc(c1)F 34a_100000205154_100000211926 [0,2,0,0,0,0|1,0,0]=3 15971 B13R1.6 OCCNCCc1cccc(c1)F 34a_100016990907_100011217235 [0,2,0,0,0,0|1,0,0]=3 15972 B13R1.6 OCCNCCc1cccc(c1)O 2230a_100000747277_100000211926 [0,2,0,0,0,0|1,0,0]=3 15973 B13R1.6 OCCNCCc1cccc(c1)O 34a_100000747277_100000211926 [0,2,0,0,0,0|1,0,0]=3 15974 B13R1.6 OCCOCCc1cccc(c1)Br 34a_100011217444_100000211926 [0,2,0,0,0,0|1,0,0]=3 15975 B13R1.6 OCCOCCc1cccc(c1)Br 7a_100011217444_100000211926 [0,2,0,0,0,0|1,0,0]=3 15976 B13R1.6 OCCOCCc1cccc(c1)Cl 34a_100000754733_100000211926 [0,2,0,0,0,0|1,0,0]=3 15977 B13R1.6 OCCOCCc1cccc(c1)Cl 7a_100000754733_100000211926 [0,2,0,0,0,0|1,0,0]=3 15978 B13R1.6 OCCOCCc1cccc(c1)F 34a_100000763591_100000211926 [0,2,0,0,0,0|1,0,0]=3 15979 B13R1.6 OCCOCCc1cccc(c1)F 7a_100000763591_100000211926 [0,2,0,0,0,0|1,0,0]=3 15980 B13R1.6 OCCOCCc1cccc(n1)Br 34a_100010221043_100000211926 [0,2,0,0,0,0|2,0,0]=4 15981 B13R1.6 OCCOCCc1cccc(n1)Br 7a_100010221043_100000211926 [0,2,0,0,0,0|2,0,0]=4 15982 B13R1.6 OCCSCCc1cccc(c1)Br 62a_100000211926_100011740638 [0,2,0,0,0,0|1,0,0]=3 15983 B13R1.6 OCCSCCc1cccc(c1)Br 62a_100011740638_100000211926 [0,2,0,0,0,0|1,0,0]=3 15984 B13R1.6 OCCSCCc1cccc(c1)Cl 62a_100000211926_100011713710 [0,2,0,0,0,0|1,0,0]=3 15985 B13R1.6 OCCSCCc1cccc(c1)Cl 62a_100011713710_100000211926 [0,2,0,0,0,0|1,0,0]=3 15986 B13R1.6 OCCSCCc1cccc(c1)F 62a_100000211926_100011217235 [0,2,0,0,0,0|1,0,0]=3 15987 B13R1.6 OCCSCCc1cccc(c1)F 62a_100011217235_100000211926 [0,2,0,0,0,0|1,0,0]=3 15988 B13R1.6 Oc1cc(ccn1)CNCCCF 207a_100015189416_100000688113 [0,2,0,0,0,0|2,0,0]=4 15989 B13R1.6 Oc1cccc(c1)CCNCCF 2230a_100000747277_100011217306 [0,2,0,0,0,0|1,0,0]=3 15990 B13R1.6 Oc1cccc(c1)CCNCCF 34a_100000747277_100011217306 [0,2,0,0,0,0|1,0,0]=3 15991 B13R1.6 Oc1cccc(c1)CNCCCF 207a_100015189416_100000188321 [0,2,0,0,0,0|1,0,0]=3 15992 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100000743036_100011934791 [0,2,0,0,0,0|1,0,0]=3 15993 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100015189416_100011660834 [0,2,0,0,0,0|1,0,0]=3 15994 B13R1.6 Oc1cccc(c1)CNCCCF 270004a_100015189416_100000188321 [0,2,0,0,0,0|1,0,0]=3 15995 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100000743036_100011934791 [0,2,0,0,0,0|1,0,0]=3 15996 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100015189416_100011660834 [0,2,0,0,0,0|1,0,0]=3 15997 B13R1.6 Oc1cccc(c1)COCCCBr 34a_100011217188_100011660834 [0,2,0,0,0,0|1,0,0]=3 15998 B13R1.6 Oc1cccc(c1)COCCCCl 34a_100000230001_100011660834 [0,2,0,0,0,0|1,0,0]=3 15999 B13R1.6 Oc1cccc(c1)COCCCF 34a_100000759539_100011660834 [0,2,0,0,0,0|1,0,0]=3 16000 B13R1.6 Oc1cccc(c1)CSCCCF 62a_100011660834_100011934791 [0,2,0,0,0,0|1,0,0]=3 16001 B13R1.6 Oc1cccc(c1)CSCCCF 62a_100011934791_100011660834 [0,2,0,0,0,0|1,0,0]=3 16002 B13R1.6 Oc1cccc(c1)NCCCCF 34a_100000210217_100000729493 [0,2,0,0,0,0|1,0,0]=3 16003 B13R1.6 Oc1cccc(c1)SCCCCF 62a_100000729493_100000211634 [0,2,0,0,0,0|1,0,0]=3 16004 B13R1.6 Oc1ccnc(c1)SCCCCF 62a_100000729493_100000762945 [0,2,0,0,0,0|2,0,0]=4 16005 B13R1.6 Oc1cncc(c1)CNCCCF 207a_100015189416_100012187055 [0,2,0,0,0,0|2,0,0]=4 16006 B13R1.6 Oc1cncc(c1)CNCCCF 270004a_100015189416_100012187055 [0,2,0,0,0,0|2,0,0]=4 16007 B13R1.6 Oc1cncc(c1)SCCCCF 62a_100000729493_100000754920 [0,2,0,0,0,0|2,0,0]=4 16008 B13R1.6 Oc1cncc(c1)SCCCCF 62a_100000754920_100000729493 [0,2,0,0,0,0|2,0,0]=4 16009 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 2230a_100011220311_200025704644 [0,2,0,0,0,0|1,0,0]=3 16010 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 34a_100011220311_200025704644 [0,2,0,0,0,0|1,0,0]=3 16011 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 2230a_100102661586_200025704644 [0,2,0,0,0,0|1,0,0]=3 16012 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 34a_100102661586_200025704644 [0,2,0,0,0,0|1,0,0]=3 16013 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 2230a_200011225440_200025704644 [0,2,0,0,0,0|1,0,0]=3 16014 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 34a_200011225440_200025704644 [0,2,0,0,0,0|1,0,0]=3 16015 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 7a_200011225440_200025704644 [0,2,0,0,0,0|1,0,0]=3 16016 B13R1.6 [13CH3]OCCCOc1cccc(c1)F 34a_200011305857_200025704644 [0,2,0,0,0,0|2,0,0]=4 16017 B13R1.6 [13CH3]OCCCOc1cccc(c1)F 7a_200011305857_200025704644 [0,2,0,0,0,0|2,0,0]=4 16018 B13R1.6 [13CH3]OCCNCc1cccc(c1)Cl 34a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 16019 B13R1.6 [13CH3]OCCSCc1cccc(c1)F 34a_100011212928_200025704644 [0,2,0,0,0,0|2,0,0]=4 16020 B13R1.6 [13CH3]OCCSCc1cccc(c1)F 7a_100011212928_200025704644 [0,2,0,0,0,0|2,0,0]=4 16021 B13R1.6 [13CH3]SCCCOc1cccc(c1)Cl 62a_100000742658_200025704644 [0,2,0,0,0,0|2,0,0]=4 16022 B13R1.6 [13CH3]SCCCOc1cccc(c1)Cl 62a_200025704644_100000742658 [0,2,0,0,0,0|2,0,0]=4 16023 B13R1.6 [O-][n+]1cccc(c1)COCCCF 34a_100000037817_100011934791 [0,2,0,0,0,0|2,0,0]=4 16024 B13R1.6 [O-][n+]1cccc(c1)COCCCF 7a_100000037817_100011934791 [0,2,0,0,0,0|2,0,0]=4 16025 B13R1.6 [O-][n+]1cccc(c1)COCCCO 34a_100000037817_100000230001 [0,2,0,0,0,0|2,0,0]=4 16026 B13R1.6 [O-][n+]1cccc(c1)COCCCO 7a_100000037817_100011215043 [0,2,0,0,0,0|2,0,0]=4 16027 B13R1.6 [O-][n+]1cccc(c1)OCCCCF 34a_100000039713_100000729493 [0,2,0,0,0,0|2,0,0]=4 16028 B13R1.6 [O-][n+]1cccc(c1)OCCCCF 7a_100000039713_100000729493 [0,2,0,0,0,0|2,0,0]=4 16029 B13R1.6 [O-][n+]1cccc(c1)OCCCCO 34a_100000039713_100011216708 [0,2,0,0,0,0|2,0,0]=4 16030 B13R1.6 [O-][n+]1cccc(c1)OCCCCO 7a_100000039713_100000210776 [0,2,0,0,0,0|2,0,0]=4 16031 B13R1.6 [O-][n+]1cccc(c1)SCCCCF 62a_100000729493_100009815978 [0,2,0,0,0,0|2,0,0]=4 16032 B13R1.6 [O-][n+]1cccc(c1)SCCCCO 62a_100000210776_100009815978 [0,2,0,0,0,0|2,0,0]=4 16033 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [0,2,0,0,0,0|1,0,1]=4 16034 B13R1.24 C#CCCCN(C)c1ccccc1 2230a_100000210012_100000731252 [0,2,0,0,0,0|1,0,1]=4 16035 B13R1.24 C#CCCCN(C)c1ccccc1 269982a_100000210012_100011215417 [0,2,0,0,0,0|1,0,1]=4 16036 B13R1.24 C#CCCCN(C)c1ccccc1 34a_100000210012_100000695029 [0,2,0,0,0,0|1,0,1]=4 16037 B13R1.24 C#CCCNC(C)c1ccccc1 34a_100000755551_100000211855 [0,2,0,0,0,0|1,0,1]=4 16038 B13R1.24 C#CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000688953 [0,2,0,0,0,0|1,0,1]=4 16039 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,2,0,0,0,0|1,0,1]=4 16040 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,2,0,0,0,0|1,0,1]=4 16041 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,2,0,0,0,0|1,0,1]=4 16042 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000230085_100000688953 [0,2,0,0,0,0|1,0,1]=4 16043 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000688953_100000230085 [0,2,0,0,0,0|1,0,1]=4 16044 B13R1.24 C#CCNCC(C)c1ccccc1 2230a_100000701038_100000038162 [0,2,0,0,0,0|1,0,1]=4 16045 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000212058_100000756946 [0,2,0,0,0,0|1,0,1]=4 16046 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000701038_100000184674 [0,2,0,0,0,0|1,0,1]=4 16047 B13R1.24 C#CCNCC(O)c1ccccc1 2230a_100000210709_100000038162 [0,2,0,0,0,0|1,0,1]=4 16048 B13R1.24 C#CCNCC(O)c1ccccc1 34a_100000212058_100000185958 [0,2,0,0,0,0|1,0,1]=4 16049 B13R1.24 C#CCNC[C@@H](O)c1ccccc1 34a_100000212058_100011933945 [0,2,0,0,0,0|1,0,1]=4 16050 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100000210247_100000756946 [0,2,0,0,0,0|1,0,1]=4 16051 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100011215166_100000184674 [0,2,0,0,0,0|1,0,1]=4 16052 B13R1.24 C#CCOCC(C)c1ccccc1 7a_100011215166_100000038162 [0,2,0,0,0,0|1,0,1]=4 16053 B13R1.24 C#CCOCC(O)c1ccccc1 34a_100000210247_100000185958 [0,2,0,0,0,0|1,0,1]=4 16054 B13R1.24 C#CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000184674 [0,2,0,0,0,0|1,0,1]=4 16055 B13R1.24 C#CCOC[C@@H](O)c1ccccc1 34a_100000210247_100011933945 [0,2,0,0,0,0|1,0,1]=4 16056 B13R1.24 C#CCSCC(C)c1ccccc1 62a_100000038162_100000756946 [0,2,0,0,0,0|1,0,1]=4 16057 B13R1.24 C#CCSCC(O)c1ccccc1 62a_100000038162_100000185958 [0,2,0,0,0,0|1,0,1]=4 16058 B13R1.24 C#CCSC[C@@H](O)c1ccccc1 62a_100000038162_100011933945 [0,2,0,0,0,0|1,0,1]=4 16059 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,2,0,0,0,0|1,0,1]=4 16060 B13R1.24 C=CCCCN(C)c1ccccc1 2230a_100000210012_100011713584 [0,2,0,0,0,0|1,0,1]=4 16061 B13R1.24 C=CCCCN(C)c1ccccc1 269982a_100000210012_100000757094 [0,2,0,0,0,0|1,0,1]=4 16062 B13R1.24 C=CCCCN(C)c1ccccc1 34a_100000210012_100000757094 [0,2,0,0,0,0|1,0,1]=4 16063 B13R1.24 C=CCCNC(C)c1ccccc1 2230a_100015191253_100000230085 [0,2,0,0,0,0|1,0,1]=4 16064 B13R1.24 C=CCCNC(C)c1ccccc1 269862a_100015191253_100000185851 [0,2,0,0,0,0|1,0,1]=4 16065 B13R1.24 C=CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000754431 [0,2,0,0,0,0|1,0,1]=4 16066 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,2,0,0,0,0|1,0,1]=4 16067 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,2,0,0,0,0|1,0,1]=4 16068 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,2,0,0,0,0|1,0,1]=4 16069 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000230085_100000754431 [0,2,0,0,0,0|1,0,1]=4 16070 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000754431_100000230085 [0,2,0,0,0,0|1,0,1]=4 16071 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100000701038_100000210623 [0,2,0,0,0,0|1,0,1]=4 16072 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100020586998_100000756946 [0,2,0,0,0,0|1,0,1]=4 16073 B13R1.24 C=CCNCC(C)c1ccccc1 270004a_100020586998_100000212034 [0,2,0,0,0,0|1,0,1]=4 16074 B13R1.24 C=CCNCC(C)c1ccccc1 34a_100000701038_100015514636 [0,2,0,0,0,0|1,0,1]=4 16075 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [0,2,0,0,0,0|1,0,1]=4 16076 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [0,2,0,0,0,0|1,0,1]=4 16077 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [0,2,0,0,0,0|1,0,1]=4 16078 B13R1.24 C=CCOCC(C)c1ccccc1 34a_100011215166_100015514636 [0,2,0,0,0,0|1,0,1]=4 16079 B13R1.24 C=CCOCC(C)c1ccccc1 34a_200000210373_100000756946 [0,2,0,0,0,0|1,0,1]=4 16080 B13R1.24 C=CCOCC(C)c1ccccc1 7a_100011215166_100015514636 [0,2,0,0,0,0|1,0,1]=4 16081 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,2,0,0,0,0|1,0,1]=4 16082 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [0,2,0,0,0,0|1,0,1]=4 16083 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,2,0,0,0,0|1,0,1]=4 16084 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000210623_100000756946 [0,2,0,0,0,0|1,0,1]=4 16085 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000756946_100000210623 [0,2,0,0,0,0|1,0,1]=4 16086 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000185958_100000210623 [0,2,0,0,0,0|1,0,1]=4 16087 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000210623_100000185958 [0,2,0,0,0,0|1,0,1]=4 16088 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100000210623_100011933945 [0,2,0,0,0,0|1,0,1]=4 16089 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210623 [0,2,0,0,0,0|1,0,1]=4 16090 B13R1.24 CC(CNCC#N)c1ccccc1 2230a_100000701038_100011215382 [0,2,0,0,0,0|0,0,2]=4 16091 B13R1.24 CC(CNCC=O)c1ccccc1 2230a_100000701038_200015260668 [0,2,0,0,0,0|1,0,1]=4 16092 B13R1.24 CC(CNCC=O)c1ccccc1 34a_100000701038_200009817547 [0,2,0,0,0,0|1,0,1]=4 16093 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [0,2,0,0,0,0|1,0,0]=3 16094 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [0,2,0,0,0,0|1,0,0]=3 16095 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [0,2,0,0,0,0|1,0,0]=3 16096 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [0,2,0,0,0,0|1,0,0]=3 16097 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [0,2,0,0,0,0|1,0,0]=3 16098 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [0,2,0,0,0,0|1,0,0]=3 16099 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [0,2,0,0,0,0|1,0,0]=3 16100 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [0,2,0,0,0,0|1,0,0]=3 16101 B13R1.24 CC(COCC#N)c1ccccc1 7a_100011215166_100011215382 [0,2,0,0,0,0|0,0,2]=4 16102 B13R1.24 CC(COCC=O)c1ccccc1 34a_100011215166_200009817547 [0,2,0,0,0,0|1,0,1]=4 16103 B13R1.24 CC(COCC=O)c1ccccc1 7a_100011215166_200015260668 [0,2,0,0,0,0|1,0,1]=4 16104 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,2,0,0,0,0|1,0,0]=3 16105 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,2,0,0,0,0|1,0,0]=3 16106 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,2,0,0,0,0|1,0,0]=3 16107 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,2,0,0,0,0|0,0,0]=2 16108 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,2,0,0,0,0|1,0,0]=3 16109 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,2,0,0,0,0|1,0,0]=3 16110 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100000756946_100011215382 [0,2,0,0,0,0|0,0,2]=4 16111 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100011215382_100000756946 [0,2,0,0,0,0|0,0,2]=4 16112 B13R1.24 CC(CSCC=O)c1ccccc1 62a_100000756946_200015260668 [0,2,0,0,0,0|1,0,1]=4 16113 B13R1.24 CC(CSCC=O)c1ccccc1 62a_200015260668_100000756946 [0,2,0,0,0,0|1,0,1]=4 16114 B13R1.24 CC(CSCCF)c1ccccc1 62a_100000756946_100011217306 [0,2,0,0,0,0|1,0,0]=3 16115 B13R1.24 CC(CSCCF)c1ccccc1 62a_100011217306_100000756946 [0,2,0,0,0,0|1,0,0]=3 16116 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [0,2,0,0,0,0|1,0,0]=3 16117 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [0,2,0,0,0,0|1,0,0]=3 16118 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,2,0,0,0,0|1,0,0]=3 16119 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,2,0,0,0,0|1,0,0]=3 16120 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,2,0,0,0,0|1,0,0]=3 16121 B13R1.24 CC(NCCCF)c1ccccn1 2230a_100000181244_100011934791 [0,2,0,0,0,0|2,0,0]=4 16122 B13R1.24 CC(NCCCF)c1ccccn1 269862a_100015189416_100000210467 [0,2,0,0,0,0|2,0,0]=4 16123 B13R1.24 CC(NCCCF)c1cccnc1 2230a_100000195435_100011934791 [0,2,0,0,0,0|2,0,0]=4 16124 B13R1.24 CC(NCCCF)c1cccnc1 269862a_100015189416_100000210468 [0,2,0,0,0,0|2,0,0]=4 16125 B13R1.24 CC(NCCCF)c1ccncc1 2230a_100000181269_100011934791 [0,2,0,0,0,0|2,0,0]=4 16126 B13R1.24 CC(NCCCF)c1ccncc1 269862a_100015189416_100000185792 [0,2,0,0,0,0|2,0,0]=4 16127 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,2,0,0,0,0|1,0,0]=3 16128 B13R1.24 CC(NCCCO)c1ccccn1 2230a_100000181244_100000230001 [0,2,0,0,0,0|2,0,0]=4 16129 B13R1.24 CC(NCCCO)c1ccccn1 269862a_100000182051_100000210467 [0,2,0,0,0,0|2,0,0]=4 16130 B13R1.24 CC(NCCCO)c1cccnc1 2230a_100000195435_100000230001 [0,2,0,0,0,0|2,0,0]=4 16131 B13R1.24 CC(NCCCO)c1cccnc1 269862a_100000182051_100000210468 [0,2,0,0,0,0|2,0,0]=4 16132 B13R1.24 CC(NCCCO)c1ccncc1 2230a_100000181269_100000230001 [0,2,0,0,0,0|2,0,0]=4 16133 B13R1.24 CC(NCCCO)c1ccncc1 269862a_100000182051_100000185792 [0,2,0,0,0,0|2,0,0]=4 16134 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,2,0,0,0,0|1,0,0]=3 16135 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,2,0,0,0,0|1,0,0]=3 16136 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,2,0,0,0,0|1,0,0]=3 16137 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,2,0,0,0,0|0,0,0]=2 16138 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,2,0,0,0,0|1,0,0]=3 16139 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100000230085_100011215226 [0,2,0,0,0,0|0,0,2]=4 16140 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100011215226_100000230085 [0,2,0,0,0,0|0,0,2]=4 16141 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,2,0,0,0,0|1,0,0]=3 16142 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,2,0,0,0,0|1,0,0]=3 16143 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,2,0,0,0,0|1,0,0]=3 16144 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,2,0,0,0,0|1,0,0]=3 16145 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,2,0,0,0,0|1,0,0]=3 16146 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,2,0,0,0,0|1,0,0]=3 16147 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 16148 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,2,0,0,0,0|1,0,0]=3 16149 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 16150 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,2,0,0,0,0|1,0,0]=3 16151 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 16152 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 16153 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 16154 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 16155 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 16156 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 16157 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 16158 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 16159 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 16160 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 16161 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,2,0,0,0,0|1,0,0]=3 16162 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,2,0,0,0,0|1,0,0]=3 16163 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,2,0,0,0,0|1,0,0]=3 16164 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,2,0,0,0,0|2,0,0]=4 16165 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,2,0,0,0,0|2,0,0]=4 16166 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,2,0,0,0,0|2,0,0]=4 16167 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,2,0,0,0,0|2,0,0]=4 16168 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,2,0,0,0,0|2,0,0]=4 16169 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,2,0,0,0,0|2,0,0]=4 16170 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,2,0,0,0,0|1,0,0]=3 16171 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,2,0,0,0,0|1,0,0]=3 16172 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,2,0,0,0,0|1,0,0]=3 16173 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,2,0,0,0,0|1,0,0]=3 16174 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,2,0,0,0,0|1,0,0]=3 16175 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,2,0,0,0,0|1,0,0]=3 16176 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,2,0,0,0,0|1,0,0]=3 16177 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,2,0,0,0,0|1,0,0]=3 16178 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,2,0,0,0,0|1,0,0]=3 16179 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,2,0,0,0,0|1,0,0]=3 16180 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,2,0,0,0,0|1,0,0]=3 16181 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,2,0,0,0,0|2,0,0]=4 16182 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,2,0,0,0,0|2,0,0]=4 16183 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,2,0,0,0,0|1,0,0]=3 16184 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,2,0,0,0,0|1,0,0]=3 16185 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,2,0,0,0,0|1,0,0]=3 16186 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,2,0,0,0,0|1,0,0]=3 16187 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|1,0,0]=3 16188 B13R1.24 CCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210303 [0,2,0,0,0,0|2,0,0]=4 16189 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,2,0,0,0,0|1,0,0]=3 16190 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,2,0,0,0,0|1,0,1]=4 16191 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,2,0,0,0,0|1,0,1]=4 16192 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,2,0,0,0,0|1,0,0]=3 16193 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,2,0,0,0,0|1,0,0]=3 16194 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,2,0,0,0,0|1,0,0]=3 16195 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,2,0,0,0,0|1,0,0]=3 16196 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,2,0,0,0,0|2,0,0]=4 16197 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,2,0,0,0,0|1,0,0]=3 16198 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,2,0,0,0,0|1,0,0]=3 16199 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,2,0,0,0,0|1,0,1]=4 16200 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,2,0,0,0,0|1,0,0]=3 16201 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,2,0,0,0,0|1,0,0]=3 16202 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,2,0,0,0,0|2,0,0]=4 16203 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,2,0,0,0,0|1,0,0]=3 16204 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,2,0,0,0,0|1,0,1]=4 16205 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 16206 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 16207 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [0,2,0,0,0,0|2,0,0]=4 16208 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,2,0,0,0,0|1,0,0]=3 16209 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,2,0,0,0,0|1,0,0]=3 16210 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,2,0,0,0,0|2,0,0]=4 16211 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,2,0,0,0,0|2,0,0]=4 16212 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,2,0,0,0,0|1,0,1]=4 16213 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,2,0,0,0,0|1,0,1]=4 16214 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,2,0,0,0,0|1,0,1]=4 16215 B13R1.24 CCSCCN(C)c1ccccc1 2230a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 16216 B13R1.24 CCSCCN(C)c1ccccc1 269982a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 16217 B13R1.24 CCSCCN(C)c1ccccc1 34a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 16218 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,2,0,0,0,0|2,0,0]=4 16219 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,2,0,0,0,0|1,0,0]=3 16220 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,2,0,0,0,0|1,0,0]=3 16221 B13R1.24 CN(CCCC#N)c1ccccc1 2230a_100000210012_100000687738 [0,2,0,0,0,0|0,0,2]=4 16222 B13R1.24 CN(CCCC#N)c1ccccc1 269982a_100000210012_100000687738 [0,2,0,0,0,0|0,0,2]=4 16223 B13R1.24 CN(CCCC=O)c1ccccc1 2230a_100000210012_200011292268 [0,2,0,0,0,0|1,0,1]=4 16224 B13R1.24 CN(CCCC=O)c1ccccc1 269982a_100000210012_200011292268 [0,2,0,0,0,0|1,0,1]=4 16225 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [0,2,0,0,0,0|1,0,0]=3 16226 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [0,2,0,0,0,0|1,0,0]=3 16227 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [0,2,0,0,0,0|1,0,0]=3 16228 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [0,2,0,0,0,0|1,0,0]=3 16229 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [0,2,0,0,0,0|1,0,0]=3 16230 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [0,2,0,0,0,0|1,0,0]=3 16231 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,2,0,0,0,0|0,0,1]=3 16232 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,2,0,0,0,0|0,0,1]=3 16233 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [0,2,0,0,0,0|1,0,1]=4 16234 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [0,2,0,0,0,0|1,0,1]=4 16235 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,2,0,0,0,0|1,0,1]=4 16236 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,2,0,0,0,0|1,0,1]=4 16237 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,2,0,0,0,0|1,0,1]=4 16238 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|1,0,0]=3 16239 B13R1.24 COCCCN(C)c1ccccc1 2230a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 16240 B13R1.24 COCCCN(C)c1ccccc1 269982a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 16241 B13R1.24 COCCCN(C)c1ccccc1 34a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 16242 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,2,0,0,0,0|2,0,0]=4 16243 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,2,0,0,0,0|2,0,0]=4 16244 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,2,0,0,0,0|2,0,0]=4 16245 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,2,0,0,0,0|2,0,0]=4 16246 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,2,0,0,0,0|2,0,0]=4 16247 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,2,0,0,0,0|2,0,0]=4 16248 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,2,0,0,0,0|2,0,0]=4 16249 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,2,0,0,0,0|2,0,0]=4 16250 B13R1.24 COCNCC(C)c1ccccc1 2230a_100000701038_100000766300 [0,2,0,0,0,0|2,0,0]=4 16251 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [0,2,0,0,0,0|2,0,0]=4 16252 B13R1.24 COCSCC(C)c1ccccc1 62a_100000756946_100000766300 [0,2,0,0,0,0|2,0,0]=4 16253 B13R1.24 COCSCC(C)c1ccccc1 62a_100000766300_100000756946 [0,2,0,0,0,0|2,0,0]=4 16254 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [0,2,0,0,0,0|2,0,0]=4 16255 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [0,2,0,0,0,0|2,0,0]=4 16256 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [0,2,0,0,0,0|2,0,0]=4 16257 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [0,2,0,0,0,0|2,0,0]=4 16258 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,2,0,0,0,0|1,0,1]=4 16259 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,2,0,0,0,0|1,0,1]=4 16260 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,2,0,0,0,0|2,0,0]=4 16261 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,2,0,0,0,0|2,0,0]=4 16262 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,2,0,0,0,0|2,0,0]=4 16263 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,2,0,0,0,0|2,0,0]=4 16264 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,2,0,0,0,0|2,0,0]=4 16265 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,2,0,0,0,0|2,0,0]=4 16266 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,2,0,0,0,0|2,0,0]=4 16267 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,2,0,0,0,0|2,0,0]=4 16268 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,2,0,0,0,0|2,0,0]=4 16269 B13R1.24 CSCNCC(C)c1ccccc1 2230a_100000701038_100011218213 [0,2,0,0,0,0|2,0,0]=4 16270 B13R1.24 CSCNCC(C)c1ccccc1 34a_100000701038_100011218213 [0,2,0,0,0,0|2,0,0]=4 16271 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [0,2,0,0,0,0|2,0,0]=4 16272 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,2,0,0,0,0|2,0,0]=4 16273 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,2,0,0,0,0|2,0,0]=4 16274 B13R1.24 CSCSCC(C)c1ccccc1 62a_100000756946_100011218213 [0,2,0,0,0,0|2,0,0]=4 16275 B13R1.24 CSCSCC(C)c1ccccc1 62a_100011218213_100000756946 [0,2,0,0,0,0|2,0,0]=4 16276 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [0,2,0,0,0,0|2,0,0]=4 16277 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [0,2,0,0,0,0|2,0,0]=4 16278 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [0,2,0,0,0,0|2,0,0]=4 16279 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [0,2,0,0,0,0|2,0,0]=4 16280 B13R1.24 C[C@@H](NCCC#N)c1ccccc1 2230a_100000751104_100011215226 [0,2,0,0,0,0|0,0,2]=4 16281 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,2,0,0,0,0|1,0,0]=3 16282 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,2,0,0,0,0|1,0,0]=3 16283 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,2,0,0,0,0|0,0,2]=4 16284 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,2,0,0,0,0|1,0,0]=3 16285 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,2,0,0,0,0|1,0,0]=3 16286 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,2,0,0,0,0|1,0,0]=3 16287 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,2,0,0,0,0|1,0,0]=3 16288 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [0,2,0,0,0,0|0,0,2]=4 16289 B13R1.24 N#CCNCC(O)c1ccccc1 2230a_100000210709_100011215382 [0,2,0,0,0,0|0,0,2]=4 16290 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100000185958_100011215382 [0,2,0,0,0,0|0,0,2]=4 16291 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100011215382_100000185958 [0,2,0,0,0,0|0,0,2]=4 16292 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011215382_100011933945 [0,2,0,0,0,0|0,0,2]=4 16293 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215382 [0,2,0,0,0,0|0,0,2]=4 16294 B13R1.24 NCCOCC(=O)c1ccccn1 34a_100000210304_100000027445 [0,2,0,0,0,0|1,0,1]=4 16295 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,2,0,0,0,0|0,0,0]=2 16296 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,2,0,0,0,0|0,0,0]=2 16297 B13R1.24 N[C@@H](CCOCF)c1ccccc1 34a_100025705951_100015361967 [0,2,0,0,0,0|1,0,0]=3 16298 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [0,2,0,0,0,0|1,0,1]=4 16299 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|1,0,0]=3 16300 B13R1.24 N[C@H](COCCF)c1ccncc1 34a_100138412524_100011217306 [0,2,0,0,0,0|2,0,0]=4 16301 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|1,0,0]=3 16302 B13R1.24 N[C@H](COCCO)c1ccncc1 34a_100138412524_100000211926 [0,2,0,0,0,0|2,0,0]=4 16303 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,2,0,0,0,0|1,0,0]=3 16304 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,2,0,0,0,0|1,0,0]=3 16305 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [0,2,0,0,0,0|1,0,1]=4 16306 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [0,2,0,0,0,0|1,0,1]=4 16307 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [0,2,0,0,0,0|1,0,1]=4 16308 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [0,2,0,0,0,0|1,0,1]=4 16309 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [0,2,0,0,0,0|1,0,1]=4 16310 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [0,2,0,0,0,0|1,0,1]=4 16311 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,2,0,0,0,0|1,0,1]=4 16312 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,2,0,0,0,0|1,0,1]=4 16313 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,2,0,0,0,0|1,0,1]=4 16314 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,2,0,0,0,0|1,0,1]=4 16315 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,2,0,0,0,0|1,0,1]=4 16316 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,2,0,0,0,0|1,0,1]=4 16317 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [0,2,0,0,0,0|1,0,1]=4 16318 B13R1.24 O=CCSCC(O)c1ccccc1 62a_100000185958_200015260668 [0,2,0,0,0,0|1,0,1]=4 16319 B13R1.24 O=CCSCC(O)c1ccccc1 62a_200015260668_100000185958 [0,2,0,0,0,0|1,0,1]=4 16320 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_100011933945_200015260668 [0,2,0,0,0,0|1,0,1]=4 16321 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_200015260668_100011933945 [0,2,0,0,0,0|1,0,1]=4 16322 B13R1.24 O=S(CCSCF)c1ccccc1 62a_100015361967_100000740319 [0,2,0,0,0,0|2,0,0]=4 16323 B13R1.24 O=S(CSCCF)c1ccccc1 62a_100011217306_100000031784 [0,2,0,0,0,0|2,0,0]=4 16324 B13R1.24 O=S(CSCCO)c1ccccc1 62a_100000211926_100000031784 [0,2,0,0,0,0|2,0,0]=4 16325 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [0,2,0,0,0,0|1,0,0]=3 16326 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [0,2,0,0,0,0|1,0,0]=3 16327 B13R1.24 OC(CNCCF)c1ccccn1 2230a_100000691469_100011217306 [0,2,0,0,0,0|2,0,0]=4 16328 B13R1.24 OC(CNCCF)c1cccnc1 2230a_100020605170_100011217306 [0,2,0,0,0,0|2,0,0]=4 16329 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,2,0,0,0,0|1,0,0]=3 16330 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [0,2,0,0,0,0|1,0,0]=3 16331 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [0,2,0,0,0,0|1,0,0]=3 16332 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [0,2,0,0,0,0|1,0,0]=3 16333 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [0,2,0,0,0,0|1,0,0]=3 16334 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [0,2,0,0,0,0|1,0,0]=3 16335 B13R1.24 OCCNCC(O)c1ccccn1 2230a_100000691469_100000211926 [0,2,0,0,0,0|2,0,0]=4 16336 B13R1.24 OCCNCC(O)c1cccnc1 2230a_100020605170_100000211926 [0,2,0,0,0,0|2,0,0]=4 16337 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [0,2,0,0,0,0|1,0,0]=3 16338 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [0,2,0,0,0,0|1,0,0]=3 16339 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [0,2,0,0,0,0|1,0,0]=3 16340 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [0,2,0,0,0,0|1,0,0]=3 16341 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [0,2,0,0,0,0|1,0,0]=3 16342 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [0,2,0,0,0,0|1,0,0]=3 16343 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [0,2,0,0,0,0|1,0,0]=3 16344 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [0,2,0,0,0,0|1,0,0]=3 16345 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [0,2,0,0,0,0|1,0,0]=3 16346 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,2,0,0,0,0|1,0,0]=3 16347 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [0,2,0,0,0,0|1,0,0]=3 16348 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [0,2,0,0,0,0|1,0,0]=3 16349 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [0,2,0,0,0,0|1,0,1]=4 16350 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|1,0,0]=3 16351 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,2,0,0,0,0|1,0,1]=4 16352 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,2,0,0,0,0|1,0,1]=4 16353 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [0,2,0,0,0,0|1,0,0]=3 16354 B13R1.28 BrCCCCOCc1ccccn1 34a_100011216708_100000721315 [0,2,0,0,0,0|2,0,0]=4 16355 B13R1.28 BrCCCCOCc1cccnc1 34a_100011216708_100000733263 [0,2,0,0,0,0|2,0,0]=4 16356 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [0,2,0,0,0,0|1,0,0]=3 16357 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [0,2,0,0,0,0|1,0,1]=4 16358 B13R1.28 BrCCOCC#Cc1ccccc1 34a_100000211926_100011352542 [0,2,0,0,0,0|1,0,1]=4 16359 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,2,0,0,0,0|1,0,0]=3 16360 B13R1.28 BrCCOCCOc1ccccc1 34a_100000211926_100000184471 [0,2,0,0,0,0|1,0,0]=3 16361 B13R1.28 BrCCOCCSc1ccccc1 34a_100000211926_100000246102 [0,2,0,0,0,0|1,0,0]=3 16362 B13R1.28 BrCCOCOCc1ccccc1 34a_100000211926_100000763385 [0,2,0,0,0,0|1,0,0]=3 16363 B13R1.28 BrCCOCSCc1ccccc1 34a_100000211926_200011217039 [0,2,0,0,0,0|1,0,0]=3 16364 B13R1.28 C#CCCCCNc1ccccc1 34a_100000106764_100010269958 [0,2,0,0,0,0|1,0,0]=3 16365 B13R1.28 C#CCCCCOc1ccccc1 34a_100000210340_100010269958 [0,2,0,0,0,0|1,0,0]=3 16366 B13R1.28 C#CCCCCOc1ccccc1 7a_100000210340_100010269958 [0,2,0,0,0,0|1,0,0]=3 16367 B13R1.28 C#CCCCCOc1cccnc1 34a_100000210849_100010269958 [0,2,0,0,0,0|2,0,0]=4 16368 B13R1.28 C#CCCCCOc1cccnc1 7a_100000210849_100010269958 [0,2,0,0,0,0|2,0,0]=4 16369 B13R1.28 C#CCCCCOc1ccncc1 34a_100000212176_100010269958 [0,2,0,0,0,0|2,0,0]=4 16370 B13R1.28 C#CCCCCSc1ccccc1 62a_100000719477_100010269958 [0,2,0,0,0,0|1,0,0]=3 16371 B13R1.28 C#CCCCCSc1ccccc1 62a_100010269958_100000041952 [0,2,0,0,0,0|1,0,0]=3 16372 B13R1.28 C#CCCCCSc1ccccn1 62a_100010269958_100011216584 [0,2,0,0,0,0|2,0,0]=4 16373 B13R1.28 C#CCCCCSc1ccccn1 62a_100011216584_100010269958 [0,2,0,0,0,0|2,0,0]=4 16374 B13R1.28 C#CCCCCSc1cccnc1 62a_100000210063_100010269958 [0,2,0,0,0,0|2,0,0]=4 16375 B13R1.28 C#CCCCCSc1cccnc1 62a_100010269958_100000210063 [0,2,0,0,0,0|2,0,0]=4 16376 B13R1.28 C#CCCCCSc1ccncc1 62a_100000728582_100010269958 [0,2,0,0,0,0|2,0,0]=4 16377 B13R1.28 C#CCCCCSc1ccncc1 62a_100010269958_100000728582 [0,2,0,0,0,0|2,0,0]=4 16378 B13R1.28 C#CCCCNCc1ccccc1 207a_100000718082_100015611070 [0,2,0,0,0,0|1,0,0]=3 16379 B13R1.28 C#CCCCNCc1ccccc1 2230a_100015324214_100000731252 [0,2,0,0,0,0|1,0,0]=3 16380 B13R1.28 C#CCCCNCc1ccccc1 270004a_100000718082_100015611070 [0,2,0,0,0,0|1,0,0]=3 16381 B13R1.28 C#CCCCNCc1ccccc1 34a_100000718082_100015291786 [0,2,0,0,0,0|1,0,0]=3 16382 B13R1.28 C#CCCCNCc1ccccc1 34a_100015324214_100000695029 [0,2,0,0,0,0|1,0,0]=3 16383 B13R1.28 C#CCCCNCc1ccccn1 207a_100000718082_100000209966 [0,2,0,0,0,0|2,0,0]=4 16384 B13R1.28 C#CCCCNCc1ccccn1 270004a_100000718082_100000209966 [0,2,0,0,0,0|2,0,0]=4 16385 B13R1.28 C#CCCCNCc1ccccn1 34a_100000718082_100000721315 [0,2,0,0,0,0|2,0,0]=4 16386 B13R1.28 C#CCCCNCc1cccnc1 207a_100000718082_100000209961 [0,2,0,0,0,0|2,0,0]=4 16387 B13R1.28 C#CCCCNCc1cccnc1 270004a_100000718082_100000209961 [0,2,0,0,0,0|2,0,0]=4 16388 B13R1.28 C#CCCCNCc1cccnc1 34a_100000718082_100000733263 [0,2,0,0,0,0|2,0,0]=4 16389 B13R1.28 C#CCCCNCc1ccncc1 207a_100000718082_100000186114 [0,2,0,0,0,0|2,0,0]=4 16390 B13R1.28 C#CCCCOCc1ccccc1 34a_100000210790_100000695029 [0,2,0,0,0,0|1,0,0]=3 16391 B13R1.28 C#CCCCOCc1ccccc1 34a_100000215630_100015291786 [0,2,0,0,0,0|1,0,0]=3 16392 B13R1.28 C#CCCCOCc1ccccc1 7a_100000210790_100011215417 [0,2,0,0,0,0|1,0,0]=3 16393 B13R1.28 C#CCCCOCc1ccccc1 7a_100000215630_100000211182 [0,2,0,0,0,0|1,0,0]=3 16394 B13R1.28 C#CCCCOCc1ccccn1 34a_100000215630_100000721315 [0,2,0,0,0,0|2,0,0]=4 16395 B13R1.28 C#CCCCOCc1ccccn1 7a_100000215630_100000721315 [0,2,0,0,0,0|2,0,0]=4 16396 B13R1.28 C#CCCCOCc1cccnc1 34a_100000215630_100000733263 [0,2,0,0,0,0|2,0,0]=4 16397 B13R1.28 C#CCCCOCc1cccnc1 7a_100000215630_100000741622 [0,2,0,0,0,0|2,0,0]=4 16398 B13R1.28 C#CCCCOCc1ccncc1 7a_100000215630_100015193705 [0,2,0,0,0,0|2,0,0]=4 16399 B13R1.28 C#CCCCSCc1ccccc1 62a_100000211182_100011215417 [0,2,0,0,0,0|1,0,0]=3 16400 B13R1.28 C#CCCCSCc1ccccc1 62a_100011215417_100015291786 [0,2,0,0,0,0|1,0,0]=3 16401 B13R1.28 C#CCCCSCc1ccccn1 62a_100000721315_100011215417 [0,2,0,0,0,0|2,0,0]=4 16402 B13R1.28 C#CCCCSCc1ccccn1 62a_100011215417_100000721315 [0,2,0,0,0,0|2,0,0]=4 16403 B13R1.28 C#CCCCSCc1cccnc1 62a_100000741622_100011215417 [0,2,0,0,0,0|2,0,0]=4 16404 B13R1.28 C#CCCCSCc1cccnc1 62a_100011215417_100000741622 [0,2,0,0,0,0|2,0,0]=4 16405 B13R1.28 C#CCCCSCc1ccncc1 62a_100011215417_100015193705 [0,2,0,0,0,0|2,0,0]=4 16406 B13R1.28 C#CCCCSCc1ccncc1 62a_100015193705_100011215417 [0,2,0,0,0,0|2,0,0]=4 16407 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [0,2,0,0,0,0|1,0,0]=3 16408 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [0,2,0,0,0,0|1,0,0]=3 16409 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [0,2,0,0,0,0|1,0,0]=3 16410 B13R1.28 C#CCCNCCc1cccnc1 2230a_100000736294_100000688953 [0,2,0,0,0,0|2,0,0]=4 16411 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [0,2,0,0,0,0|1,0,0]=3 16412 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [0,2,0,0,0,0|1,0,0]=3 16413 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [0,2,0,0,0,0|1,0,0]=3 16414 B13R1.28 C#CCCOCCc1ccccn1 34a_100000210271_100000688953 [0,2,0,0,0,0|2,0,0]=4 16415 B13R1.28 C#CCCOCCc1cccnc1 34a_100011217484_100000688953 [0,2,0,0,0,0|2,0,0]=4 16416 B13R1.28 C#CCCOCCc1ccncc1 34a_100011216225_100000688953 [0,2,0,0,0,0|2,0,0]=4 16417 B13R1.28 C#CCCSCCc1ccccc1 62a_100000688953_100011218657 [0,2,0,0,0,0|1,0,0]=3 16418 B13R1.28 C#CCCSCCc1ccccc1 62a_100000765856_100000688953 [0,2,0,0,0,0|1,0,0]=3 16419 B13R1.28 C#CCCSCCc1ccccn1 62a_100000688953_100015183660 [0,2,0,0,0,0|2,0,0]=4 16420 B13R1.28 C#CCCSCCc1ccccn1 62a_100015183660_100000688953 [0,2,0,0,0,0|2,0,0]=4 16421 B13R1.28 C#CCCSCCc1cccnc1 62a_100000688953_200011713674 [0,2,0,0,0,0|2,0,0]=4 16422 B13R1.28 C#CCCSCCc1cccnc1 62a_200011713674_100000688953 [0,2,0,0,0,0|2,0,0]=4 16423 B13R1.28 C#CCCSCCc1ccncc1 62a_100000688953_100000723409 [0,2,0,0,0,0|2,0,0]=4 16424 B13R1.28 C#CCCSCCc1ccncc1 62a_100000723409_100000688953 [0,2,0,0,0,0|2,0,0]=4 16425 B13R1.28 C#CCCSCSc1ccccc1 62a_100000688953_100011218342 [0,2,0,0,0,0|1,0,1]=4 16426 B13R1.28 C#CCCSCSc1ccccc1 62a_100011218342_100000688953 [0,2,0,0,0,0|1,0,1]=4 16427 B13R1.28 C#CCNCCCc1ccccc1 2230a_100000211184_100000038162 [0,2,0,0,0,0|1,0,0]=3 16428 B13R1.28 C#CCNCCCc1ccccc1 34a_100000211184_100000184674 [0,2,0,0,0,0|1,0,0]=3 16429 B13R1.28 C#CCNCCCc1ccccc1 34a_100000212058_100000211621 [0,2,0,0,0,0|1,0,0]=3 16430 B13R1.28 C#CCNCCCc1cccnc1 2230a_100011532358_100000038162 [0,2,0,0,0,0|2,0,0]=4 16431 B13R1.28 C#CCNCCCc1cccnc1 34a_100011532358_100000184674 [0,2,0,0,0,0|2,0,0]=4 16432 B13R1.28 C#CCNCCCc1ccncc1 2230a_100011275580_100000038162 [0,2,0,0,0,0|2,0,0]=4 16433 B13R1.28 C#CCNCCOc1ccccc1 2230a_100000174943_100000038162 [0,2,0,0,0,0|1,0,1]=4 16434 B13R1.28 C#CCNCCOc1ccccc1 34a_100000174943_100000184674 [0,2,0,0,0,0|1,0,1]=4 16435 B13R1.28 C#CCNCCOc1ccccc1 34a_100000212058_100000184471 [0,2,0,0,0,0|1,0,1]=4 16436 B13R1.28 C#CCNCCSc1ccccc1 2230a_100000189519_100000038162 [0,2,0,0,0,0|1,0,1]=4 16437 B13R1.28 C#CCNCCSc1ccccc1 34a_100000212058_100000246102 [0,2,0,0,0,0|1,0,1]=4 16438 B13R1.28 C#CCNCOCc1ccccc1 34a_100000212058_100000763385 [0,2,0,0,0,0|1,0,1]=4 16439 B13R1.28 C#CCNCSCc1ccccc1 34a_100000212058_200011217039 [0,2,0,0,0,0|1,0,1]=4 16440 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210247_100000211621 [0,2,0,0,0,0|1,0,0]=3 16441 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210828_100000184674 [0,2,0,0,0,0|1,0,0]=3 16442 B13R1.28 C#CCOCCCc1ccccc1 7a_100000210828_100000038162 [0,2,0,0,0,0|1,0,0]=3 16443 B13R1.28 C#CCOCCCc1ccccn1 34a_100011215068_100000184674 [0,2,0,0,0,0|2,0,0]=4 16444 B13R1.28 C#CCOCCCc1cccnc1 34a_100000211284_100000184674 [0,2,0,0,0,0|2,0,0]=4 16445 B13R1.28 C#CCOCCCc1ccncc1 34a_100000210659_100000184674 [0,2,0,0,0,0|2,0,0]=4 16446 B13R1.28 C#CCOCCNc1ccccc1 34a_100000106764_100010402529 [0,2,0,0,0,0|1,0,1]=4 16447 B13R1.28 C#CCOCCNc1ccccc1 34a_100000211345_100000184674 [0,2,0,0,0,0|1,0,1]=4 16448 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210247_100000184471 [0,2,0,0,0,0|1,0,1]=4 16449 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210260_100000184674 [0,2,0,0,0,0|1,0,1]=4 16450 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210340_100010402529 [0,2,0,0,0,0|1,0,1]=4 16451 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210260_100000038162 [0,2,0,0,0,0|1,0,1]=4 16452 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210340_100010402529 [0,2,0,0,0,0|1,0,1]=4 16453 B13R1.28 C#CCOCCSc1ccccc1 34a_100000210247_100000246102 [0,2,0,0,0,0|1,0,1]=4 16454 B13R1.28 C#CCOCCSc1ccccc1 62a_100000719477_100010402529 [0,2,0,0,0,0|1,0,1]=4 16455 B13R1.28 C#CCOCCSc1ccccc1 62a_100010402529_100000041952 [0,2,0,0,0,0|1,0,1]=4 16456 B13R1.28 C#CCOCCSc1ccccc1 7a_100000230494_100000038162 [0,2,0,0,0,0|1,0,1]=4 16457 B13R1.28 C#CCOCOCc1ccccc1 34a_100000210247_100000763385 [0,2,0,0,0,0|1,0,1]=4 16458 B13R1.28 C#CCOCSCc1ccccc1 34a_100000210247_200011217039 [0,2,0,0,0,0|1,0,1]=4 16459 B13R1.28 C#CCSCCCc1ccccc1 62a_100000038162_100000211621 [0,2,0,0,0,0|1,0,0]=3 16460 B13R1.28 C#CCSCCOc1ccccc1 62a_100000038162_100000184471 [0,2,0,0,0,0|1,0,1]=4 16461 B13R1.28 C#CCSCCSc1ccccc1 62a_100000038162_100000246102 [0,2,0,0,0,0|1,0,1]=4 16462 B13R1.28 C#CCSCOCc1ccccc1 62a_100000038162_100000763385 [0,2,0,0,0,0|1,0,1]=4 16463 B13R1.28 C#CCSCSCc1ccccc1 62a_100000038162_200011217039 [0,2,0,0,0,0|1,0,1]=4 16464 B13R1.28 C/C=C/CCOCc1ccccc1 34a_100016278192_100015291786 [0,2,0,0,0,0|1,0,1]=4 16465 B13R1.28 C/C=C/CNCCc1ccccc1 34a_100000106460_100102629194 [0,2,0,0,0,0|1,0,1]=4 16466 B13R1.28 C/C=C/COCCc1ccccc1 34a_100000210268_100102629194 [0,2,0,0,0,0|1,0,1]=4 16467 B13R1.28 C/C=C/COCCc1ccccc1 34a_100016270725_100000765856 [0,2,0,0,0,0|1,0,1]=4 16468 B13R1.28 C/C=C/COCCc1ccccc1 7a_100000210268_100102629194 [0,2,0,0,0,0|1,0,1]=4 16469 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100000765856_100102629194 [0,2,0,0,0,0|1,0,1]=4 16470 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100102629194_100011218657 [0,2,0,0,0,0|1,0,1]=4 16471 B13R1.28 C=CCCCCNc1ccccc1 34a_100000106764_100011215482 [0,2,0,0,0,0|1,0,0]=3 16472 B13R1.28 C=CCCCCOc1ccccc1 34a_100000210340_100011215482 [0,2,0,0,0,0|1,0,0]=3 16473 B13R1.28 C=CCCCCOc1ccccc1 7a_100000210340_100011215482 [0,2,0,0,0,0|1,0,0]=3 16474 B13R1.28 C=CCCCCOc1cccnc1 34a_100000210849_100011215482 [0,2,0,0,0,0|2,0,0]=4 16475 B13R1.28 C=CCCCCOc1cccnc1 7a_100000210849_100011215482 [0,2,0,0,0,0|2,0,0]=4 16476 B13R1.28 C=CCCCCOc1ccncc1 34a_100000212176_100011215482 [0,2,0,0,0,0|2,0,0]=4 16477 B13R1.28 C=CCCCCSc1ccccc1 62a_100000719477_100011215482 [0,2,0,0,0,0|1,0,0]=3 16478 B13R1.28 C=CCCCCSc1ccccc1 62a_100011215482_100000041952 [0,2,0,0,0,0|1,0,0]=3 16479 B13R1.28 C=CCCCCSc1ccccn1 62a_100011215482_100011216584 [0,2,0,0,0,0|2,0,0]=4 16480 B13R1.28 C=CCCCCSc1ccccn1 62a_100011216584_100011215482 [0,2,0,0,0,0|2,0,0]=4 16481 B13R1.28 C=CCCCCSc1cccnc1 62a_100000210063_100011215482 [0,2,0,0,0,0|2,0,0]=4 16482 B13R1.28 C=CCCCCSc1cccnc1 62a_100011215482_100000210063 [0,2,0,0,0,0|2,0,0]=4 16483 B13R1.28 C=CCCCCSc1ccncc1 62a_100000728582_100011215482 [0,2,0,0,0,0|2,0,0]=4 16484 B13R1.28 C=CCCCCSc1ccncc1 62a_100011215482_100000728582 [0,2,0,0,0,0|2,0,0]=4 16485 B13R1.28 C=CCCCNCc1ccccc1 2230a_100000700776_100015291786 [0,2,0,0,0,0|1,0,0]=3 16486 B13R1.28 C=CCCCNCc1ccccc1 2230a_100015324214_100011713584 [0,2,0,0,0,0|1,0,0]=3 16487 B13R1.28 C=CCCCNCc1ccccc1 270004a_100000700776_100015611070 [0,2,0,0,0,0|1,0,0]=3 16488 B13R1.28 C=CCCCNCc1ccccc1 34a_100000700776_100015291786 [0,2,0,0,0,0|1,0,0]=3 16489 B13R1.28 C=CCCCNCc1ccccc1 34a_100015324214_100000757094 [0,2,0,0,0,0|1,0,0]=3 16490 B13R1.28 C=CCCCNCc1ccccn1 2230a_100000700776_100000721315 [0,2,0,0,0,0|2,0,0]=4 16491 B13R1.28 C=CCCCNCc1ccccn1 270004a_100000700776_100000209966 [0,2,0,0,0,0|2,0,0]=4 16492 B13R1.28 C=CCCCNCc1ccccn1 34a_100000700776_100000721315 [0,2,0,0,0,0|2,0,0]=4 16493 B13R1.28 C=CCCCNCc1cccnc1 2230a_100000700776_100000741622 [0,2,0,0,0,0|2,0,0]=4 16494 B13R1.28 C=CCCCNCc1cccnc1 270004a_100000700776_100000209961 [0,2,0,0,0,0|2,0,0]=4 16495 B13R1.28 C=CCCCNCc1cccnc1 34a_100000700776_100000733263 [0,2,0,0,0,0|2,0,0]=4 16496 B13R1.28 C=CCCCNCc1ccncc1 2230a_100000700776_100015193705 [0,2,0,0,0,0|2,0,0]=4 16497 B13R1.28 C=CCCCOCc1ccccc1 34a_100000210790_100000757094 [0,2,0,0,0,0|1,0,0]=3 16498 B13R1.28 C=CCCCOCc1ccccc1 34a_100000758997_100015291786 [0,2,0,0,0,0|1,0,0]=3 16499 B13R1.28 C=CCCCOCc1ccccc1 7a_100000210790_100000757094 [0,2,0,0,0,0|1,0,0]=3 16500 B13R1.28 C=CCCCOCc1ccccc1 7a_100000758997_100000211182 [0,2,0,0,0,0|1,0,0]=3 16501 B13R1.28 C=CCCCOCc1ccccn1 34a_100000758997_100000721315 [0,2,0,0,0,0|2,0,0]=4 16502 B13R1.28 C=CCCCOCc1ccccn1 7a_100000758997_100000721315 [0,2,0,0,0,0|2,0,0]=4 16503 B13R1.28 C=CCCCOCc1cccnc1 34a_100000758997_100000733263 [0,2,0,0,0,0|2,0,0]=4 16504 B13R1.28 C=CCCCOCc1cccnc1 7a_100000758997_100000741622 [0,2,0,0,0,0|2,0,0]=4 16505 B13R1.28 C=CCCCOCc1ccncc1 7a_100000758997_100015193705 [0,2,0,0,0,0|2,0,0]=4 16506 B13R1.28 C=CCCCSCc1ccccc1 62a_100000211182_100000757094 [0,2,0,0,0,0|1,0,0]=3 16507 B13R1.28 C=CCCCSCc1ccccc1 62a_100011713584_100015291786 [0,2,0,0,0,0|1,0,0]=3 16508 B13R1.28 C=CCCCSCc1ccccn1 62a_100000721315_100000757094 [0,2,0,0,0,0|2,0,0]=4 16509 B13R1.28 C=CCCCSCc1ccccn1 62a_100011713584_100000721315 [0,2,0,0,0,0|2,0,0]=4 16510 B13R1.28 C=CCCCSCc1cccnc1 62a_100000741622_100000757094 [0,2,0,0,0,0|2,0,0]=4 16511 B13R1.28 C=CCCCSCc1cccnc1 62a_100011713584_100000741622 [0,2,0,0,0,0|2,0,0]=4 16512 B13R1.28 C=CCCCSCc1ccncc1 62a_100011713584_100015193705 [0,2,0,0,0,0|2,0,0]=4 16513 B13R1.28 C=CCCCSCc1ccncc1 62a_100015193705_100000757094 [0,2,0,0,0,0|2,0,0]=4 16514 B13R1.28 C=CCCNCCc1ccccc1 2230a_100000106460_100000754431 [0,2,0,0,0,0|1,0,0]=3 16515 B13R1.28 C=CCCNCCc1ccccc1 2230a_100015191253_100000765856 [0,2,0,0,0,0|1,0,0]=3 16516 B13R1.28 C=CCCNCCc1ccccc1 34a_100000106460_100000754431 [0,2,0,0,0,0|1,0,0]=3 16517 B13R1.28 C=CCCNCCc1ccccn1 2230a_100015191253_100015183660 [0,2,0,0,0,0|2,0,0]=4 16518 B13R1.28 C=CCCNCCc1cccnc1 2230a_100000736294_100000754431 [0,2,0,0,0,0|2,0,0]=4 16519 B13R1.28 C=CCCNCCc1cccnc1 2230a_100015191253_200011713674 [0,2,0,0,0,0|2,0,0]=4 16520 B13R1.28 C=CCCNCCc1ccncc1 2230a_100015191253_100000723409 [0,2,0,0,0,0|2,0,0]=4 16521 B13R1.28 C=CCCNCSc1ccccc1 2230a_100015191253_100011218342 [0,2,0,0,0,0|1,0,1]=4 16522 B13R1.28 C=CCCOCCc1ccccc1 34a_100000210268_100000754431 [0,2,0,0,0,0|1,0,0]=3 16523 B13R1.28 C=CCCOCCc1ccccc1 34a_100011205117_100000765856 [0,2,0,0,0,0|1,0,0]=3 16524 B13R1.28 C=CCCOCCc1ccccc1 7a_100000210268_100000754431 [0,2,0,0,0,0|1,0,0]=3 16525 B13R1.28 C=CCCOCCc1ccccn1 34a_100000210271_100000754431 [0,2,0,0,0,0|2,0,0]=4 16526 B13R1.28 C=CCCOCCc1cccnc1 34a_100011217484_100000754431 [0,2,0,0,0,0|2,0,0]=4 16527 B13R1.28 C=CCCOCCc1ccncc1 34a_100011216225_100000754431 [0,2,0,0,0,0|2,0,0]=4 16528 B13R1.28 C=CCCSCCc1ccccc1 62a_100000754431_100011218657 [0,2,0,0,0,0|1,0,0]=3 16529 B13R1.28 C=CCCSCCc1ccccc1 62a_100000765856_100000754431 [0,2,0,0,0,0|1,0,0]=3 16530 B13R1.28 C=CCCSCCc1ccccn1 62a_100000754431_100015183660 [0,2,0,0,0,0|2,0,0]=4 16531 B13R1.28 C=CCCSCCc1ccccn1 62a_100015183660_100000754431 [0,2,0,0,0,0|2,0,0]=4 16532 B13R1.28 C=CCCSCCc1cccnc1 62a_100000754431_200011713674 [0,2,0,0,0,0|2,0,0]=4 16533 B13R1.28 C=CCCSCCc1cccnc1 62a_200011713674_100000754431 [0,2,0,0,0,0|2,0,0]=4 16534 B13R1.28 C=CCCSCCc1ccncc1 62a_100000723409_100000754431 [0,2,0,0,0,0|2,0,0]=4 16535 B13R1.28 C=CCCSCCc1ccncc1 62a_100000754431_100000723409 [0,2,0,0,0,0|2,0,0]=4 16536 B13R1.28 C=CCCSCSc1ccccc1 62a_100000754431_100011218342 [0,2,0,0,0,0|1,0,1]=4 16537 B13R1.28 C=CCCSCSc1ccccc1 62a_100011218342_100000754431 [0,2,0,0,0,0|1,0,1]=4 16538 B13R1.28 C=CCNCCCc1ccccc1 2230a_100000211184_100000210623 [0,2,0,0,0,0|1,0,0]=3 16539 B13R1.28 C=CCNCCCc1ccccc1 2230a_100020586998_100000211621 [0,2,0,0,0,0|1,0,0]=3 16540 B13R1.28 C=CCNCCCc1ccccc1 34a_100000211184_100015514636 [0,2,0,0,0,0|1,0,0]=3 16541 B13R1.28 C=CCNCCCc1cccnc1 2230a_100011532358_100000210623 [0,2,0,0,0,0|2,0,0]=4 16542 B13R1.28 C=CCNCCCc1cccnc1 34a_100011532358_100015514636 [0,2,0,0,0,0|2,0,0]=4 16543 B13R1.28 C=CCNCCCc1ccncc1 2230a_100011275580_100000210623 [0,2,0,0,0,0|2,0,0]=4 16544 B13R1.28 C=CCNCCOc1ccccc1 2230a_100000174943_100000210623 [0,2,0,0,0,0|1,0,1]=4 16545 B13R1.28 C=CCNCCOc1ccccc1 2230a_100020586998_100000184471 [0,2,0,0,0,0|1,0,1]=4 16546 B13R1.28 C=CCNCCOc1ccccc1 270004a_100020586998_100000758736 [0,2,0,0,0,0|1,0,1]=4 16547 B13R1.28 C=CCNCCOc1ccccc1 34a_100000174943_100015514636 [0,2,0,0,0,0|1,0,1]=4 16548 B13R1.28 C=CCNCCSc1ccccc1 2230a_100000189519_100000210623 [0,2,0,0,0,0|1,0,1]=4 16549 B13R1.28 C=CCNCCSc1ccccc1 2230a_100020586998_100000246102 [0,2,0,0,0,0|1,0,1]=4 16550 B13R1.28 C=CCNCOCc1ccccc1 2230a_100020586998_100000763385 [0,2,0,0,0,0|1,0,1]=4 16551 B13R1.28 C=CCNCSCc1ccccc1 2230a_100020586998_200011217039 [0,2,0,0,0,0|1,0,1]=4 16552 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [0,2,0,0,0,0|1,0,0]=3 16553 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [0,2,0,0,0,0|1,0,0]=3 16554 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [0,2,0,0,0,0|1,0,0]=3 16555 B13R1.28 C=CCOCCCc1ccccn1 34a_100011215068_100015514636 [0,2,0,0,0,0|2,0,0]=4 16556 B13R1.28 C=CCOCCCc1cccnc1 34a_100000211284_100015514636 [0,2,0,0,0,0|2,0,0]=4 16557 B13R1.28 C=CCOCCCc1ccncc1 34a_100000210659_100015514636 [0,2,0,0,0,0|2,0,0]=4 16558 B13R1.28 C=CCOCCNc1ccccc1 34a_100000211345_100015514636 [0,2,0,0,0,0|1,0,1]=4 16559 B13R1.28 C=CCOCCOc1ccccc1 34a_100000210260_100015514636 [0,2,0,0,0,0|1,0,1]=4 16560 B13R1.28 C=CCOCCOc1ccccc1 34a_200000210373_100000184471 [0,2,0,0,0,0|1,0,1]=4 16561 B13R1.28 C=CCOCCOc1ccccc1 7a_100000210260_100015514636 [0,2,0,0,0,0|1,0,1]=4 16562 B13R1.28 C=CCOCCSc1ccccc1 34a_200000210373_100000246102 [0,2,0,0,0,0|1,0,1]=4 16563 B13R1.28 C=CCOCCSc1ccccc1 7a_100000230494_100015514636 [0,2,0,0,0,0|1,0,1]=4 16564 B13R1.28 C=CCOCOCc1ccccc1 34a_200000210373_100000763385 [0,2,0,0,0,0|1,0,1]=4 16565 B13R1.28 C=CCOCSCc1ccccc1 34a_200000210373_200011217039 [0,2,0,0,0,0|1,0,1]=4 16566 B13R1.28 C=CCSCCCc1ccccc1 62a_100000210623_100000211621 [0,2,0,0,0,0|1,0,0]=3 16567 B13R1.28 C=CCSCCCc1ccccc1 62a_100000211621_100000210623 [0,2,0,0,0,0|1,0,0]=3 16568 B13R1.28 C=CCSCCOc1ccccc1 62a_100000184471_100000210623 [0,2,0,0,0,0|1,0,1]=4 16569 B13R1.28 C=CCSCCOc1ccccc1 62a_100000210623_100000184471 [0,2,0,0,0,0|1,0,1]=4 16570 B13R1.28 C=CCSCCSc1ccccc1 62a_100000210623_100000246102 [0,2,0,0,0,0|1,0,1]=4 16571 B13R1.28 C=CCSCCSc1ccccc1 62a_100000246102_100000210623 [0,2,0,0,0,0|1,0,1]=4 16572 B13R1.28 C=CCSCOCc1ccccc1 62a_100000210623_100000763385 [0,2,0,0,0,0|1,0,1]=4 16573 B13R1.28 C=CCSCOCc1ccccc1 62a_100000763385_100000210623 [0,2,0,0,0,0|1,0,1]=4 16574 B13R1.28 C=CCSCSCc1ccccc1 62a_100000210623_200011217039 [0,2,0,0,0,0|1,0,1]=4 16575 B13R1.28 C=CCSCSCc1ccccc1 62a_200011217039_100000210623 [0,2,0,0,0,0|1,0,1]=4 16576 B13R1.28 C=COCCNCc1ccccc1 2230a_100015324214_100000039644 [0,2,0,0,0,0|1,0,1]=4 16577 B13R1.28 C=COCCNCc1ccccc1 34a_100015324214_100000039644 [0,2,0,0,0,0|1,0,1]=4 16578 B13R1.28 C=COCCOCc1ccccc1 34a_100000033082_100015291786 [0,2,0,0,0,0|1,0,1]=4 16579 B13R1.28 C=COCCOCc1ccccc1 34a_100000210790_100000039644 [0,2,0,0,0,0|1,0,1]=4 16580 B13R1.28 C=COCCOCc1ccccc1 7a_100000210790_100000039644 [0,2,0,0,0,0|1,0,1]=4 16581 B13R1.28 C=COCCSCc1ccccc1 62a_100000039644_100015291786 [0,2,0,0,0,0|1,0,1]=4 16582 B13R1.28 C=COCCSCc1ccccc1 62a_100000211182_100000039644 [0,2,0,0,0,0|1,0,1]=4 16583 B13R1.28 CC#CCCOCc1ccccc1 34a_100000750427_100015291786 [0,2,0,0,0,0|1,0,1]=4 16584 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000106460_100000748600 [0,2,0,0,0,0|1,0,1]=4 16585 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000685387_100000765856 [0,2,0,0,0,0|1,0,1]=4 16586 B13R1.28 CC#CCNCCc1ccccc1 34a_100000106460_100000748600 [0,2,0,0,0,0|1,0,1]=4 16587 B13R1.28 CC#CCNCCc1ccccc1 34a_100000685387_100000765856 [0,2,0,0,0,0|1,0,1]=4 16588 B13R1.28 CC#CCOCCc1ccccc1 34a_100000210268_100000748600 [0,2,0,0,0,0|1,0,1]=4 16589 B13R1.28 CC#CCOCCc1ccccc1 34a_100000761923_100000765856 [0,2,0,0,0,0|1,0,1]=4 16590 B13R1.28 CC#CCOCCc1ccccc1 7a_100000210268_100000748600 [0,2,0,0,0,0|1,0,1]=4 16591 B13R1.28 CC#CCSCCc1ccccc1 62a_100000748600_100011218657 [0,2,0,0,0,0|1,0,1]=4 16592 B13R1.28 CC#CCSCCc1ccccc1 62a_100000765856_100000748600 [0,2,0,0,0,0|1,0,1]=4 16593 B13R1.28 CC/C=C\CCNc1ccccc1 34a_100000106764_100015370543 [0,2,0,0,0,0|1,0,1]=4 16594 B13R1.28 CC/C=C\CCOc1ccccc1 34a_100000210340_100015370543 [0,2,0,0,0,0|1,0,1]=4 16595 B13R1.28 CC/C=C\CCOc1ccccc1 7a_100000210340_100015370543 [0,2,0,0,0,0|1,0,1]=4 16596 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100000719477_100015370543 [0,2,0,0,0,0|1,0,1]=4 16597 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100015370543_100000041952 [0,2,0,0,0,0|1,0,1]=4 16598 B13R1.28 CC/C=C\CNCc1ccccc1 2230a_100015324214_100103147603 [0,2,0,0,0,0|1,0,1]=4 16599 B13R1.28 CC/C=C\CNCc1ccccc1 34a_100015324214_100103147603 [0,2,0,0,0,0|1,0,1]=4 16600 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [0,2,0,0,0,0|1,0,1]=4 16601 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [0,2,0,0,0,0|1,0,1]=4 16602 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [0,2,0,0,0,0|1,0,1]=4 16603 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100000211182_100103147603 [0,2,0,0,0,0|1,0,1]=4 16604 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100103147603_100015291786 [0,2,0,0,0,0|1,0,1]=4 16605 B13R1.28 CC=CCNCCc1ccccc1 2230a_100000106460_100000070051 [0,2,0,0,0,0|1,0,1]=4 16606 B13R1.28 CC=CCNCCc1ccccc1 34a_100000106460_100000070051 [0,2,0,0,0,0|1,0,1]=4 16607 B13R1.28 CC=CCOCCc1ccccc1 34a_100000210268_100000070051 [0,2,0,0,0,0|1,0,1]=4 16608 B13R1.28 CC=CCOCCc1ccccc1 7a_100000210268_100000070051 [0,2,0,0,0,0|1,0,1]=4 16609 B13R1.28 CC=CCSCCc1ccccc1 62a_100000070051_100011218657 [0,2,0,0,0,0|1,0,1]=4 16610 B13R1.28 CC=CCSCCc1ccccc1 62a_100000765856_100000070051 [0,2,0,0,0,0|1,0,1]=4 16611 B13R1.28 CCC#CCNCc1ccccc1 2230a_100015324214_100009813939 [0,2,0,0,0,0|1,0,1]=4 16612 B13R1.28 CCC#CCNCc1ccccc1 34a_100015324214_100009813939 [0,2,0,0,0,0|1,0,1]=4 16613 B13R1.28 CCC#CCOCc1ccccc1 34a_100000032950_100015291786 [0,2,0,0,0,0|1,0,1]=4 16614 B13R1.28 CCC#CCOCc1ccccc1 34a_100000210790_100009813939 [0,2,0,0,0,0|1,0,1]=4 16615 B13R1.28 CCC#CCOCc1ccccc1 7a_100000210790_100009813939 [0,2,0,0,0,0|1,0,1]=4 16616 B13R1.28 CCC#CCSCc1ccccc1 62a_100000211182_100009813939 [0,2,0,0,0,0|1,0,1]=4 16617 B13R1.28 CCC#CCSCc1ccccc1 62a_100009813939_100015291786 [0,2,0,0,0,0|1,0,1]=4 16618 B13R1.28 CCC=NNCCc1ccccc1 4a_100000740470_100000210100 [0,2,0,0,0,0|1,0,1]=4 16619 B13R1.28 CCCC=NNCc1ccccc1 4a_100000007032_100000185831 [0,2,0,0,0,0|1,0,1]=4 16620 B13R1.28 CCCCC=NNc1ccccc1 4a_100015195140_100000210104 [0,2,0,0,0,0|1,0,1]=4 16621 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [0,2,0,0,0,0|1,0,0]=3 16622 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [0,2,0,0,0,0|2,0,0]=4 16623 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [0,2,0,0,0,0|2,0,0]=4 16624 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [0,2,0,0,0,0|2,0,0]=4 16625 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [0,2,0,0,0,0|1,0,0]=3 16626 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [0,2,0,0,0,0|1,0,0]=3 16627 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [0,2,0,0,0,0|1,0,0]=3 16628 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [0,2,0,0,0,0|2,0,0]=4 16629 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [0,2,0,0,0,0|2,0,0]=4 16630 B13R1.28 CCCCCCOc1ccncc1 34a_100000212176_100000210314 [0,2,0,0,0,0|2,0,0]=4 16631 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [0,2,0,0,0,0|1,0,0]=3 16632 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [0,2,0,0,0,0|1,0,0]=3 16633 B13R1.28 CCCCCCSc1ccccn1 62a_100000210314_100011216584 [0,2,0,0,0,0|2,0,0]=4 16634 B13R1.28 CCCCCCSc1ccccn1 62a_100011216584_100000210757 [0,2,0,0,0,0|2,0,0]=4 16635 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [0,2,0,0,0,0|2,0,0]=4 16636 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [0,2,0,0,0,0|2,0,0]=4 16637 B13R1.28 CCCCCCSc1ccncc1 62a_100000210314_100000728582 [0,2,0,0,0,0|2,0,0]=4 16638 B13R1.28 CCCCCCSc1ccncc1 62a_100000728582_100000210757 [0,2,0,0,0,0|2,0,0]=4 16639 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [0,2,0,0,0,0|1,0,0]=3 16640 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [0,2,0,0,0,0|1,0,0]=3 16641 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [0,2,0,0,0,0|1,0,0]=3 16642 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [0,2,0,0,0,0|1,0,0]=3 16643 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [0,2,0,0,0,0|1,0,0]=3 16644 B13R1.28 CCCCCNCc1ccccn1 207a_100000209983_100000209966 [0,2,0,0,0,0|2,0,0]=4 16645 B13R1.28 CCCCCNCc1ccccn1 2230a_100000209983_100000721315 [0,2,0,0,0,0|2,0,0]=4 16646 B13R1.28 CCCCCNCc1ccccn1 270004a_100000209983_100000209966 [0,2,0,0,0,0|2,0,0]=4 16647 B13R1.28 CCCCCNCc1cccnc1 207a_100000209983_100000209961 [0,2,0,0,0,0|2,0,0]=4 16648 B13R1.28 CCCCCNCc1cccnc1 2230a_100000209983_100000741622 [0,2,0,0,0,0|2,0,0]=4 16649 B13R1.28 CCCCCNCc1cccnc1 270004a_100000209983_100000209961 [0,2,0,0,0,0|2,0,0]=4 16650 B13R1.28 CCCCCNCc1ccncc1 207a_100000209983_100000186114 [0,2,0,0,0,0|2,0,0]=4 16651 B13R1.28 CCCCCNCc1ccncc1 2230a_100000209983_100015193705 [0,2,0,0,0,0|2,0,0]=4 16652 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [0,2,0,0,0,0|1,0,0]=3 16653 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [0,2,0,0,0,0|1,0,0]=3 16654 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [0,2,0,0,0,0|1,0,0]=3 16655 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [0,2,0,0,0,0|1,0,0]=3 16656 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [0,2,0,0,0,0|2,0,0]=4 16657 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [0,2,0,0,0,0|2,0,0]=4 16658 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [0,2,0,0,0,0|2,0,0]=4 16659 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [0,2,0,0,0,0|2,0,0]=4 16660 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [0,2,0,0,0,0|2,0,0]=4 16661 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [0,2,0,0,0,0|1,0,0]=3 16662 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [0,2,0,0,0,0|1,0,0]=3 16663 B13R1.28 CCCCCSCc1ccccn1 62a_100000210326_100000721315 [0,2,0,0,0,0|2,0,0]=4 16664 B13R1.28 CCCCCSCc1ccccn1 62a_100000721315_100000210326 [0,2,0,0,0,0|2,0,0]=4 16665 B13R1.28 CCCCCSCc1cccnc1 62a_100000210326_100000741622 [0,2,0,0,0,0|2,0,0]=4 16666 B13R1.28 CCCCCSCc1cccnc1 62a_100000741622_100000210326 [0,2,0,0,0,0|2,0,0]=4 16667 B13R1.28 CCCCCSCc1ccncc1 62a_100000210326_100015193705 [0,2,0,0,0,0|2,0,0]=4 16668 B13R1.28 CCCCCSCc1ccncc1 62a_100015193705_100000210326 [0,2,0,0,0,0|2,0,0]=4 16669 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [0,2,0,0,0,0|1,0,0]=3 16670 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [0,2,0,0,0,0|1,0,0]=3 16671 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [0,2,0,0,0,0|1,0,0]=3 16672 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [0,2,0,0,0,0|1,0,0]=3 16673 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [0,2,0,0,0,0|2,0,0]=4 16674 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [0,2,0,0,0,0|2,0,0]=4 16675 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [0,2,0,0,0,0|2,0,0]=4 16676 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [0,2,0,0,0,0|2,0,0]=4 16677 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [0,2,0,0,0,0|2,0,0]=4 16678 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [0,2,0,0,0,0|2,0,0]=4 16679 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [0,2,0,0,0,0|2,0,0]=4 16680 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [0,2,0,0,0,0|1,0,0]=3 16681 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [0,2,0,0,0,0|1,0,1]=4 16682 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,2,0,0,0,0|1,0,0]=3 16683 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,2,0,0,0,0|1,0,0]=3 16684 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,2,0,0,0,0|1,0,0]=3 16685 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,2,0,0,0,0|1,0,0]=3 16686 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,2,0,0,0,0|2,0,0]=4 16687 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,2,0,0,0,0|2,0,0]=4 16688 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,2,0,0,0,0|2,0,0]=4 16689 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,2,0,0,0,0|2,0,0]=4 16690 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,2,0,0,0,0|2,0,0]=4 16691 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,2,0,0,0,0|2,0,0]=4 16692 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [0,2,0,0,0,0|1,0,0]=3 16693 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [0,2,0,0,0,0|1,0,0]=3 16694 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [0,2,0,0,0,0|2,0,0]=4 16695 B13R1.28 CCCCOCOc1ccncc1 34a_100000212176_100011995733 [0,2,0,0,0,0|2,0,0]=4 16696 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [0,2,0,0,0,0|1,0,0]=3 16697 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [0,2,0,0,0,0|1,0,0]=3 16698 B13R1.28 CCCCOCSc1ccccn1 62a_100011216584_100011995733 [0,2,0,0,0,0|2,0,0]=4 16699 B13R1.28 CCCCOCSc1ccccn1 62a_100011995733_100011216584 [0,2,0,0,0,0|2,0,0]=4 16700 B13R1.28 CCCCOCSc1cccnc1 62a_100000210063_100011995733 [0,2,0,0,0,0|2,0,0]=4 16701 B13R1.28 CCCCOCSc1cccnc1 62a_100011995733_100000210063 [0,2,0,0,0,0|2,0,0]=4 16702 B13R1.28 CCCCOCSc1ccncc1 62a_100000728582_100011995733 [0,2,0,0,0,0|2,0,0]=4 16703 B13R1.28 CCCCOCSc1ccncc1 62a_100011995733_100000728582 [0,2,0,0,0,0|2,0,0]=4 16704 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [0,2,0,0,0,0|1,0,0]=3 16705 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [0,2,0,0,0,0|1,0,0]=3 16706 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [0,2,0,0,0,0|2,0,0]=4 16707 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [0,2,0,0,0,0|2,0,0]=4 16708 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [0,2,0,0,0,0|2,0,0]=4 16709 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [0,2,0,0,0,0|2,0,0]=4 16710 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [0,2,0,0,0,0|2,0,0]=4 16711 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [0,2,0,0,0,0|2,0,0]=4 16712 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [0,2,0,0,0,0|1,0,0]=3 16713 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [0,2,0,0,0,0|1,0,0]=3 16714 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [0,2,0,0,0,0|1,0,1]=4 16715 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [0,2,0,0,0,0|1,0,1]=4 16716 B13R1.28 CCCNCC#Cc1ccccc1 34a_100000735379_100000210303 [0,2,0,0,0,0|1,0,1]=4 16717 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [0,2,0,0,0,0|1,0,1]=4 16718 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,2,0,0,0,0|1,0,0]=3 16719 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,2,0,0,0,0|1,0,0]=3 16720 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,2,0,0,0,0|2,0,0]=4 16721 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,2,0,0,0,0|2,0,0]=4 16722 B13R1.28 CCCNCCCc1ccncc1 2230a_100011275580_100000210303 [0,2,0,0,0,0|2,0,0]=4 16723 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [0,2,0,0,0,0|1,0,0]=3 16724 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [0,2,0,0,0,0|1,0,0]=3 16725 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [0,2,0,0,0,0|1,0,0]=3 16726 B13R1.28 CCCNCCOc1ccccn1 2230a_106741647558_100000210303 [0,2,0,0,0,0|2,0,0]=4 16727 B13R1.28 CCCNCCOc1cccnc1 2230a_100000754688_100000210303 [0,2,0,0,0,0|2,0,0]=4 16728 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [0,2,0,0,0,0|1,0,0]=3 16729 B13R1.28 CCCNN=CCc1ccccc1 4a_100000740057_100000209964 [0,2,0,0,0,0|1,0,1]=4 16730 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [0,2,0,0,0,0|1,0,1]=4 16731 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [0,2,0,0,0,0|1,0,1]=4 16732 B13R1.28 CCCOCC#Cc1ccccc1 34a_100000210258_100011352542 [0,2,0,0,0,0|1,0,1]=4 16733 B13R1.28 CCCOCC#Cc1ccccc1 34a_100011217464_100000210303 [0,2,0,0,0,0|1,0,1]=4 16734 B13R1.28 CCCOCC#Cc1ccccc1 7a_100011217464_100000210303 [0,2,0,0,0,0|1,0,1]=4 16735 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,2,0,0,0,0|1,0,0]=3 16736 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,2,0,0,0,0|1,0,0]=3 16737 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,2,0,0,0,0|1,0,0]=3 16738 B13R1.28 CCCOCCCc1ccccn1 34a_100011215068_100000210303 [0,2,0,0,0,0|2,0,0]=4 16739 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,2,0,0,0,0|2,0,0]=4 16740 B13R1.28 CCCOCCCc1ccncc1 34a_100000210659_100000210303 [0,2,0,0,0,0|2,0,0]=4 16741 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [0,2,0,0,0,0|1,0,0]=3 16742 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [0,2,0,0,0,0|1,0,0]=3 16743 B13R1.28 CCCOCCNc1ccncc1 34a_200011243140_100000210303 [0,2,0,0,0,0|2,0,0]=4 16744 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [0,2,0,0,0,0|1,0,0]=3 16745 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [0,2,0,0,0,0|1,0,0]=3 16746 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [0,2,0,0,0,0|1,0,0]=3 16747 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [0,2,0,0,0,0|1,0,0]=3 16748 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [0,2,0,0,0,0|1,0,0]=3 16749 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [0,2,0,0,0,0|2,0,0]=4 16750 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [0,2,0,0,0,0|2,0,0]=4 16751 B13R1.28 CCCOCCOc1ccncc1 34a_100000212176_100011215938 [0,2,0,0,0,0|2,0,0]=4 16752 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [0,2,0,0,0,0|1,0,0]=3 16753 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [0,2,0,0,0,0|1,0,0]=3 16754 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [0,2,0,0,0,0|1,0,0]=3 16755 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [0,2,0,0,0,0|1,0,0]=3 16756 B13R1.28 CCCOCCSc1ccccn1 62a_100011215938_100011216584 [0,2,0,0,0,0|2,0,0]=4 16757 B13R1.28 CCCOCCSc1ccccn1 62a_100011216584_100011215938 [0,2,0,0,0,0|2,0,0]=4 16758 B13R1.28 CCCOCCSc1ccccn1 7a_100000156319_100000210303 [0,2,0,0,0,0|2,0,0]=4 16759 B13R1.28 CCCOCCSc1cccnc1 62a_100000210063_100011215938 [0,2,0,0,0,0|2,0,0]=4 16760 B13R1.28 CCCOCCSc1cccnc1 62a_100011215938_100000210063 [0,2,0,0,0,0|2,0,0]=4 16761 B13R1.28 CCCOCCSc1ccncc1 62a_100000728582_100011215938 [0,2,0,0,0,0|2,0,0]=4 16762 B13R1.28 CCCOCCSc1ccncc1 62a_100011215938_100000728582 [0,2,0,0,0,0|2,0,0]=4 16763 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [0,2,0,0,0,0|1,0,0]=3 16764 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [0,2,0,0,0,0|1,0,0]=3 16765 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [0,2,0,0,0,0|1,0,1]=4 16766 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [0,2,0,0,0,0|1,0,1]=4 16767 B13R1.28 CCCSCC#Cc1ccccc1 62a_100000210303_100011352542 [0,2,0,0,0,0|1,0,1]=4 16768 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,2,0,0,0,0|1,0,0]=3 16769 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,2,0,0,0,0|1,0,0]=3 16770 B13R1.28 CCCSCCOc1ccccc1 62a_100000184471_100000210303 [0,2,0,0,0,0|1,0,0]=3 16771 B13R1.28 CCCSCCOc1ccccc1 62a_100000210303_100000184471 [0,2,0,0,0,0|1,0,0]=3 16772 B13R1.28 CCCSCCSc1ccccc1 62a_100000210303_100000246102 [0,2,0,0,0,0|1,0,0]=3 16773 B13R1.28 CCCSCCSc1ccccc1 62a_100000246102_100000210303 [0,2,0,0,0,0|1,0,0]=3 16774 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [0,2,0,0,0,0|1,0,0]=3 16775 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [0,2,0,0,0,0|1,0,0]=3 16776 B13R1.28 CCCSCSCc1ccccc1 62a_100000210303_200011217039 [0,2,0,0,0,0|1,0,0]=3 16777 B13R1.28 CCCSCSCc1ccccc1 62a_200011217039_100000210303 [0,2,0,0,0,0|1,0,0]=3 16778 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [0,2,0,0,0,0|0,0,0]=2 16779 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [0,2,0,0,0,0|0,0,0]=2 16780 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [0,2,0,0,0,0|0,0,0]=2 16781 B13R1.28 CCNCCCCc1ccncc1 2230a_100015525214_100020630000 [0,2,0,0,0,0|1,0,0]=3 16782 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [0,2,0,0,0,0|1,0,0]=3 16783 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [0,2,0,0,0,0|1,0,0]=3 16784 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [0,2,0,0,0,0|1,0,0]=3 16785 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [0,2,0,0,0,0|1,0,0]=3 16786 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [0,2,0,0,0,0|1,0,0]=3 16787 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [0,2,0,0,0,0|1,0,0]=3 16788 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [0,2,0,0,0,0|1,0,0]=3 16789 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [0,2,0,0,0,0|1,0,0]=3 16790 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [0,2,0,0,0,0|1,0,0]=3 16791 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [0,2,0,0,0,0|1,0,0]=3 16792 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [0,2,0,0,0,0|1,0,0]=3 16793 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [0,2,0,0,0,0|1,0,0]=3 16794 B13R1.28 CCNN=CCCc1ccccc1 4a_100000756455_100000198083 [0,2,0,0,0,0|1,0,1]=4 16795 B13R1.28 CCOCCC#Cc1ccccc1 34a_100000760064_100000210202 [0,2,0,0,0,0|1,0,1]=4 16796 B13R1.28 CCOCCC#Cc1ccccc1 7a_100000760064_100000210202 [0,2,0,0,0,0|1,0,1]=4 16797 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [0,2,0,0,0,0|1,0,0]=3 16798 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [0,2,0,0,0,0|1,0,0]=3 16799 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [0,2,0,0,0,0|1,0,0]=3 16800 B13R1.28 CCOCCCCc1ccccn1 34a_100012186994_100000210202 [0,2,0,0,0,0|2,0,0]=4 16801 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [0,2,0,0,0,0|2,0,0]=4 16802 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [0,2,0,0,0,0|2,0,0]=4 16803 B13R1.28 CCOCCCCc1ccncc1 34a_100011787716_100000210202 [0,2,0,0,0,0|2,0,0]=4 16804 B13R1.28 CCOCCCNc1ccccc1 34a_100000106764_100012232248 [0,2,0,0,0,0|1,0,0]=3 16805 B13R1.28 CCOCCCNc1ccccc1 34a_100000212590_100000210202 [0,2,0,0,0,0|1,0,0]=3 16806 B13R1.28 CCOCCCOc1ccccc1 34a_100000210340_100012232248 [0,2,0,0,0,0|1,0,0]=3 16807 B13R1.28 CCOCCCOc1ccccc1 34a_100011215863_100000210202 [0,2,0,0,0,0|1,0,0]=3 16808 B13R1.28 CCOCCCOc1ccccc1 34a_100121572206_100000199009 [0,2,0,0,0,0|1,0,0]=3 16809 B13R1.28 CCOCCCOc1ccccc1 7a_100000210340_100012232248 [0,2,0,0,0,0|1,0,0]=3 16810 B13R1.28 CCOCCCOc1ccccc1 7a_100011215863_100000210202 [0,2,0,0,0,0|1,0,0]=3 16811 B13R1.28 CCOCCCOc1cccnc1 34a_100000210849_100012232248 [0,2,0,0,0,0|2,0,0]=4 16812 B13R1.28 CCOCCCOc1cccnc1 7a_100000210849_100012232248 [0,2,0,0,0,0|2,0,0]=4 16813 B13R1.28 CCOCCCOc1ccncc1 34a_100000212176_100012232248 [0,2,0,0,0,0|2,0,0]=4 16814 B13R1.28 CCOCCCSc1ccccc1 34a_100121572206_200011203293 [0,2,0,0,0,0|1,0,0]=3 16815 B13R1.28 CCOCCCSc1ccccc1 62a_100000719477_100012232248 [0,2,0,0,0,0|1,0,0]=3 16816 B13R1.28 CCOCCCSc1ccccc1 62a_100012232248_100000041952 [0,2,0,0,0,0|1,0,0]=3 16817 B13R1.28 CCOCCCSc1ccccn1 62a_100011216584_100012232248 [0,2,0,0,0,0|2,0,0]=4 16818 B13R1.28 CCOCCCSc1ccccn1 62a_100012232248_100011216584 [0,2,0,0,0,0|2,0,0]=4 16819 B13R1.28 CCOCCCSc1cccnc1 62a_100000210063_100012232248 [0,2,0,0,0,0|2,0,0]=4 16820 B13R1.28 CCOCCCSc1cccnc1 62a_100012232248_100000210063 [0,2,0,0,0,0|2,0,0]=4 16821 B13R1.28 CCOCCCSc1ccncc1 62a_100000728582_100012232248 [0,2,0,0,0,0|2,0,0]=4 16822 B13R1.28 CCOCCCSc1ccncc1 62a_100012232248_100000728582 [0,2,0,0,0,0|2,0,0]=4 16823 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [0,2,0,0,0,0|1,0,0]=3 16824 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [0,2,0,0,0,0|1,0,0]=3 16825 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [0,2,0,0,0,0|1,0,0]=3 16826 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [0,2,0,0,0,0|1,0,0]=3 16827 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [0,2,0,0,0,0|1,0,0]=3 16828 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [0,2,0,0,0,0|1,0,0]=3 16829 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [0,2,0,0,0,0|1,0,0]=3 16830 B13R1.28 CCOCCNCc1ccccn1 207a_100011200944_100000209966 [0,2,0,0,0,0|2,0,0]=4 16831 B13R1.28 CCOCCNCc1ccccn1 2230a_102516460346_100000721315 [0,2,0,0,0,0|2,0,0]=4 16832 B13R1.28 CCOCCNCc1ccccn1 270004a_102516460346_100000209966 [0,2,0,0,0,0|2,0,0]=4 16833 B13R1.28 CCOCCNCc1ccccn1 34a_102516460346_100000721315 [0,2,0,0,0,0|2,0,0]=4 16834 B13R1.28 CCOCCNCc1cccnc1 207a_100011200944_100000209961 [0,2,0,0,0,0|2,0,0]=4 16835 B13R1.28 CCOCCNCc1cccnc1 2230a_102516460346_100000741622 [0,2,0,0,0,0|2,0,0]=4 16836 B13R1.28 CCOCCNCc1cccnc1 270004a_102516460346_100000209961 [0,2,0,0,0,0|2,0,0]=4 16837 B13R1.28 CCOCCNCc1cccnc1 34a_102516460346_100000733263 [0,2,0,0,0,0|2,0,0]=4 16838 B13R1.28 CCOCCNCc1ccncc1 207a_100011200944_100000186114 [0,2,0,0,0,0|2,0,0]=4 16839 B13R1.28 CCOCCNCc1ccncc1 2230a_102516460346_100015193705 [0,2,0,0,0,0|2,0,0]=4 16840 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [0,2,0,0,0,0|1,0,0]=3 16841 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [0,2,0,0,0,0|1,0,0]=3 16842 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [0,2,0,0,0,0|1,0,0]=3 16843 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [0,2,0,0,0,0|1,0,0]=3 16844 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [0,2,0,0,0,0|1,0,0]=3 16845 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [0,2,0,0,0,0|1,0,0]=3 16846 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [0,2,0,0,0,0|1,0,0]=3 16847 B13R1.28 CCOCCOCc1ccccn1 34a_100000210136_100000721315 [0,2,0,0,0,0|2,0,0]=4 16848 B13R1.28 CCOCCOCc1ccccn1 7a_100000210136_100000721315 [0,2,0,0,0,0|2,0,0]=4 16849 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [0,2,0,0,0,0|2,0,0]=4 16850 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [0,2,0,0,0,0|2,0,0]=4 16851 B13R1.28 CCOCCOCc1ccncc1 7a_100000210136_100015193705 [0,2,0,0,0,0|2,0,0]=4 16852 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [0,2,0,0,0,0|1,0,0]=3 16853 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [0,2,0,0,0,0|1,0,0]=3 16854 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [0,2,0,0,0,0|1,0,0]=3 16855 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [0,2,0,0,0,0|1,0,0]=3 16856 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [0,2,0,0,0,0|1,0,0]=3 16857 B13R1.28 CCOCCSCc1ccccn1 62a_100000210147_100000721315 [0,2,0,0,0,0|2,0,0]=4 16858 B13R1.28 CCOCCSCc1ccccn1 62a_100000721315_100011215890 [0,2,0,0,0,0|2,0,0]=4 16859 B13R1.28 CCOCCSCc1cccnc1 62a_100000210147_100000741622 [0,2,0,0,0,0|2,0,0]=4 16860 B13R1.28 CCOCCSCc1cccnc1 62a_100000741622_100011215890 [0,2,0,0,0,0|2,0,0]=4 16861 B13R1.28 CCOCCSCc1ccncc1 62a_100000210147_100015193705 [0,2,0,0,0,0|2,0,0]=4 16862 B13R1.28 CCOCCSCc1ccncc1 62a_100015193705_100011215890 [0,2,0,0,0,0|2,0,0]=4 16863 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [0,2,0,0,0,0|1,0,0]=3 16864 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [0,2,0,0,0,0|1,0,0]=3 16865 B13R1.28 CCOCSCCc1ccccn1 62a_100000739092_100015183660 [0,2,0,0,0,0|2,0,0]=4 16866 B13R1.28 CCOCSCCc1ccccn1 62a_100015183660_100000739092 [0,2,0,0,0,0|2,0,0]=4 16867 B13R1.28 CCOCSCCc1cccnc1 62a_100000739092_200011713674 [0,2,0,0,0,0|2,0,0]=4 16868 B13R1.28 CCOCSCCc1cccnc1 62a_200011713674_100000739092 [0,2,0,0,0,0|2,0,0]=4 16869 B13R1.28 CCOCSCCc1ccncc1 62a_100000723409_100000739092 [0,2,0,0,0,0|2,0,0]=4 16870 B13R1.28 CCOCSCCc1ccncc1 62a_100000739092_100000723409 [0,2,0,0,0,0|2,0,0]=4 16871 B13R1.28 CCOCSCSc1ccccc1 62a_100000739092_100011218342 [0,2,0,0,0,0|2,0,0]=4 16872 B13R1.28 CCOCSCSc1ccccc1 62a_100011218342_100000739092 [0,2,0,0,0,0|2,0,0]=4 16873 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [0,2,0,0,0,0|1,0,0]=3 16874 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [0,2,0,0,0,0|1,0,0]=3 16875 B13R1.28 CCSCCCCc1ccncc1 62a_100000210202_100020630000 [0,2,0,0,0,0|2,0,0]=4 16876 B13R1.28 CCSCCCCc1ccncc1 62a_100020630000_100000210202 [0,2,0,0,0,0|2,0,0]=4 16877 B13R1.28 CCSCCCOc1ccccc1 62a_100000199009_100000210202 [0,2,0,0,0,0|1,0,0]=3 16878 B13R1.28 CCSCCCOc1ccccc1 62a_100000210202_100000199009 [0,2,0,0,0,0|1,0,0]=3 16879 B13R1.28 CCSCCCSc1ccccc1 62a_100000210202_200011203293 [0,2,0,0,0,0|1,0,0]=3 16880 B13R1.28 CCSCCCSc1ccccc1 62a_200011203293_100000210202 [0,2,0,0,0,0|1,0,0]=3 16881 B13R1.28 CCSCCNCc1ccccc1 207a_100000106463_100015611070 [0,2,0,0,0,0|1,0,0]=3 16882 B13R1.28 CCSCCNCc1ccccc1 2230a_100000106463_100015291786 [0,2,0,0,0,0|1,0,0]=3 16883 B13R1.28 CCSCCNCc1ccccc1 2230a_100015324214_100000757381 [0,2,0,0,0,0|1,0,0]=3 16884 B13R1.28 CCSCCNCc1ccccc1 270004a_100000106463_100015611070 [0,2,0,0,0,0|1,0,0]=3 16885 B13R1.28 CCSCCNCc1ccccc1 34a_100015324214_100000757381 [0,2,0,0,0,0|1,0,0]=3 16886 B13R1.28 CCSCCNCc1ccccn1 207a_100000106463_100000209966 [0,2,0,0,0,0|2,0,0]=4 16887 B13R1.28 CCSCCNCc1ccccn1 2230a_100000106463_100000721315 [0,2,0,0,0,0|2,0,0]=4 16888 B13R1.28 CCSCCNCc1ccccn1 270004a_100000106463_100000209966 [0,2,0,0,0,0|2,0,0]=4 16889 B13R1.28 CCSCCNCc1cccnc1 207a_100000106463_100000209961 [0,2,0,0,0,0|2,0,0]=4 16890 B13R1.28 CCSCCNCc1cccnc1 2230a_100000106463_100000741622 [0,2,0,0,0,0|2,0,0]=4 16891 B13R1.28 CCSCCNCc1cccnc1 270004a_100000106463_100000209961 [0,2,0,0,0,0|2,0,0]=4 16892 B13R1.28 CCSCCNCc1ccncc1 207a_100000106463_100000186114 [0,2,0,0,0,0|2,0,0]=4 16893 B13R1.28 CCSCCNCc1ccncc1 2230a_100000106463_100015193705 [0,2,0,0,0,0|2,0,0]=4 16894 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [0,2,0,0,0,0|1,0,0]=3 16895 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [0,2,0,0,0,0|1,0,0]=3 16896 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [0,2,0,0,0,0|1,0,0]=3 16897 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [0,2,0,0,0,0|1,0,0]=3 16898 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [0,2,0,0,0,0|1,0,0]=3 16899 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [0,2,0,0,0,0|1,0,0]=3 16900 B13R1.28 CCSCCOCc1ccccn1 34a_100000212035_100000721315 [0,2,0,0,0,0|2,0,0]=4 16901 B13R1.28 CCSCCOCc1ccccn1 7a_100000212035_100000721315 [0,2,0,0,0,0|2,0,0]=4 16902 B13R1.28 CCSCCOCc1cccnc1 34a_100000212035_100000733263 [0,2,0,0,0,0|2,0,0]=4 16903 B13R1.28 CCSCCOCc1cccnc1 7a_100000212035_100000741622 [0,2,0,0,0,0|2,0,0]=4 16904 B13R1.28 CCSCCOCc1ccncc1 7a_100000212035_100015193705 [0,2,0,0,0,0|2,0,0]=4 16905 B13R1.28 CCSCCSCc1ccccc1 62a_100000210202_200011297719 [0,2,0,0,0,0|1,0,0]=3 16906 B13R1.28 CCSCCSCc1ccccc1 62a_100000211182_100000757381 [0,2,0,0,0,0|1,0,0]=3 16907 B13R1.28 CCSCCSCc1ccccc1 62a_100000757381_100015291786 [0,2,0,0,0,0|1,0,0]=3 16908 B13R1.28 CCSCCSCc1ccccc1 62a_200011297719_100000210202 [0,2,0,0,0,0|1,0,0]=3 16909 B13R1.28 CCSCCSCc1ccccn1 62a_100000721315_100000757381 [0,2,0,0,0,0|2,0,0]=4 16910 B13R1.28 CCSCCSCc1ccccn1 62a_100000757381_100000721315 [0,2,0,0,0,0|2,0,0]=4 16911 B13R1.28 CCSCCSCc1cccnc1 62a_100000741622_100000757381 [0,2,0,0,0,0|2,0,0]=4 16912 B13R1.28 CCSCCSCc1cccnc1 62a_100000757381_100000741622 [0,2,0,0,0,0|2,0,0]=4 16913 B13R1.28 CCSCCSCc1ccncc1 62a_100000757381_100015193705 [0,2,0,0,0,0|2,0,0]=4 16914 B13R1.28 CCSCCSCc1ccncc1 62a_100015193705_100000757381 [0,2,0,0,0,0|2,0,0]=4 16915 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,2,0,0,0,0|0,0,0]=2 16916 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,2,0,0,0,0|0,0,0]=2 16917 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,2,0,0,0,0|0,0,0]=2 16918 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,2,0,0,0,0|0,0,0]=2 16919 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,2,0,0,0,0|0,0,0]=2 16920 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [0,2,0,0,0,0|0,0,0]=2 16921 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [0,2,0,0,0,0|0,0,0]=2 16922 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [0,2,0,0,0,0|0,0,0]=2 16923 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [0,2,0,0,0,0|0,0,0]=2 16924 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [0,2,0,0,0,0|0,0,0]=2 16925 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [0,2,0,0,0,0|0,0,0]=2 16926 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [0,2,0,0,0,0|0,0,0]=2 16927 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [0,2,0,0,0,0|0,0,0]=2 16928 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [0,2,0,0,0,0|0,0,0]=2 16929 B13R1.28 CNCCCOCc1ccccn1 34a_100000213112_100000721315 [0,2,0,0,0,0|1,0,0]=3 16930 B13R1.28 CNCCCOCc1cccnc1 34a_100000213112_100000733263 [0,2,0,0,0,0|1,0,0]=3 16931 B13R1.28 CNCCCOCc1cccnn1 34a_100000213112_100016990269 [0,2,0,0,0,0|2,0,0]=4 16932 B13R1.28 CNCCCOCc1cnccn1 34a_100000213112_100016995436 [0,2,0,0,0,0|2,0,0]=4 16933 B13R1.28 CNCCCOCc1cncnc1 34a_100000213112_100015196519 [0,2,0,0,0,0|2,0,0]=4 16934 B13R1.28 CNCCCOCc1ncccn1 34a_100000213112_100000703007 [0,2,0,0,0,0|2,0,0]=4 16935 B13R1.28 COCCCC#Cc1ccccc1 34a_100011217234_200000210301 [0,2,0,0,0,0|1,0,1]=4 16936 B13R1.28 COCCCC#Cc1ccccc1 7a_100011217234_200000210301 [0,2,0,0,0,0|1,0,1]=4 16937 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,2,0,0,0,0|1,0,0]=3 16938 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,2,0,0,0,0|1,0,0]=3 16939 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,2,0,0,0,0|1,0,0]=3 16940 B13R1.28 COCCCCNc1ccccc1 34a_100000106764_100000755781 [0,2,0,0,0,0|1,0,0]=3 16941 B13R1.28 COCCCCOc1ccccc1 34a_100000210340_100000755781 [0,2,0,0,0,0|1,0,0]=3 16942 B13R1.28 COCCCCOc1ccccc1 34a_100000752354_200000210301 [0,2,0,0,0,0|1,0,0]=3 16943 B13R1.28 COCCCCOc1ccccc1 34a_100138415774_100011215240 [0,2,0,0,0,0|1,0,0]=3 16944 B13R1.28 COCCCCOc1ccccc1 7a_100000210340_100000730899 [0,2,0,0,0,0|1,0,0]=3 16945 B13R1.28 COCCCCOc1ccccc1 7a_100000752354_200000210301 [0,2,0,0,0,0|1,0,0]=3 16946 B13R1.28 COCCCCOc1cccnc1 34a_100000210849_100000755781 [0,2,0,0,0,0|2,0,0]=4 16947 B13R1.28 COCCCCOc1cccnc1 7a_100000210849_100000730899 [0,2,0,0,0,0|2,0,0]=4 16948 B13R1.28 COCCCCOc1ccncc1 34a_100000212176_100000755781 [0,2,0,0,0,0|2,0,0]=4 16949 B13R1.28 COCCCCSc1ccccc1 62a_100000719477_100000730899 [0,2,0,0,0,0|1,0,0]=3 16950 B13R1.28 COCCCCSc1ccccc1 62a_100000730899_100000041952 [0,2,0,0,0,0|1,0,0]=3 16951 B13R1.28 COCCCCSc1ccccn1 62a_100000730899_100011216584 [0,2,0,0,0,0|2,0,0]=4 16952 B13R1.28 COCCCCSc1ccccn1 62a_100011216584_100000730899 [0,2,0,0,0,0|2,0,0]=4 16953 B13R1.28 COCCCCSc1cccnc1 62a_100000210063_100000730899 [0,2,0,0,0,0|2,0,0]=4 16954 B13R1.28 COCCCCSc1cccnc1 62a_100000730899_100000210063 [0,2,0,0,0,0|2,0,0]=4 16955 B13R1.28 COCCCCSc1ccncc1 62a_100000728582_100000730899 [0,2,0,0,0,0|2,0,0]=4 16956 B13R1.28 COCCCCSc1ccncc1 62a_100000730899_100000728582 [0,2,0,0,0,0|2,0,0]=4 16957 B13R1.28 COCCCNCc1ccccc1 207a_100150723488_100015611070 [0,2,0,0,0,0|1,0,0]=3 16958 B13R1.28 COCCCNCc1ccccc1 2230a_100015324214_100000740836 [0,2,0,0,0,0|1,0,0]=3 16959 B13R1.28 COCCCNCc1ccccc1 270004a_100150723488_100015611070 [0,2,0,0,0,0|1,0,0]=3 16960 B13R1.28 COCCCNCc1ccccc1 34a_100000185501_200000210301 [0,2,0,0,0,0|1,0,0]=3 16961 B13R1.28 COCCCNCc1ccccc1 34a_100015324214_100000740836 [0,2,0,0,0,0|1,0,0]=3 16962 B13R1.28 COCCCNCc1ccccc1 34a_100150723488_100015291786 [0,2,0,0,0,0|1,0,0]=3 16963 B13R1.28 COCCCNCc1ccccn1 207a_100150723488_100000209966 [0,2,0,0,0,0|2,0,0]=4 16964 B13R1.28 COCCCNCc1ccccn1 270004a_100150723488_100000209966 [0,2,0,0,0,0|2,0,0]=4 16965 B13R1.28 COCCCNCc1ccccn1 34a_100150723488_100000721315 [0,2,0,0,0,0|2,0,0]=4 16966 B13R1.28 COCCCNCc1cccnc1 207a_100150723488_100000209961 [0,2,0,0,0,0|2,0,0]=4 16967 B13R1.28 COCCCNCc1cccnc1 270004a_100150723488_100000209961 [0,2,0,0,0,0|2,0,0]=4 16968 B13R1.28 COCCCNCc1cccnc1 34a_100150723488_100000733263 [0,2,0,0,0,0|2,0,0]=4 16969 B13R1.28 COCCCNCc1ccncc1 207a_100150723488_100000186114 [0,2,0,0,0,0|2,0,0]=4 16970 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [0,2,0,0,0,0|1,0,0]=3 16971 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [0,2,0,0,0,0|1,0,0]=3 16972 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [0,2,0,0,0,0|1,0,0]=3 16973 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [0,2,0,0,0,0|1,0,0]=3 16974 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [0,2,0,0,0,0|1,0,0]=3 16975 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [0,2,0,0,0,0|1,0,0]=3 16976 B13R1.28 COCCCOCc1ccccn1 34a_100000740835_100000721315 [0,2,0,0,0,0|2,0,0]=4 16977 B13R1.28 COCCCOCc1cccnc1 34a_100000740835_100000733263 [0,2,0,0,0,0|2,0,0]=4 16978 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [0,2,0,0,0,0|1,0,0]=3 16979 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [0,2,0,0,0,0|1,0,0]=3 16980 B13R1.28 COCCCSCc1ccccn1 62a_100000709357_100000721315 [0,2,0,0,0,0|2,0,0]=4 16981 B13R1.28 COCCCSCc1ccccn1 62a_100000721315_100000709357 [0,2,0,0,0,0|2,0,0]=4 16982 B13R1.28 COCCCSCc1cccnc1 62a_100000709357_100000741622 [0,2,0,0,0,0|2,0,0]=4 16983 B13R1.28 COCCCSCc1cccnc1 62a_100000741622_100000709357 [0,2,0,0,0,0|2,0,0]=4 16984 B13R1.28 COCCCSCc1ccncc1 62a_100000709357_100015193705 [0,2,0,0,0,0|2,0,0]=4 16985 B13R1.28 COCCCSCc1ccncc1 62a_100015193705_100000709357 [0,2,0,0,0,0|2,0,0]=4 16986 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [0,2,0,0,0,0|1,0,0]=3 16987 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [0,2,0,0,0,0|1,0,0]=3 16988 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [0,2,0,0,0,0|1,0,0]=3 16989 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [0,2,0,0,0,0|2,0,0]=4 16990 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [0,2,0,0,0,0|2,0,0]=4 16991 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [0,2,0,0,0,0|2,0,0]=4 16992 B13R1.28 COCCNCCc1ccncc1 2230a_100000209980_100000723409 [0,2,0,0,0,0|2,0,0]=4 16993 B13R1.28 COCCNCSc1ccccc1 2230a_100000209980_100011218342 [0,2,0,0,0,0|2,0,0]=4 16994 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,2,0,0,0,0|1,0,0]=3 16995 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,2,0,0,0,0|1,0,0]=3 16996 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,2,0,0,0,0|1,0,0]=3 16997 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [0,2,0,0,0,0|2,0,0]=4 16998 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,2,0,0,0,0|2,0,0]=4 16999 B13R1.28 COCCOCCc1ccncc1 34a_100011216225_100011201679 [0,2,0,0,0,0|2,0,0]=4 17000 B13R1.28 COCCOCSc1ccccc1 62a_100000231047_100000041952 [0,2,0,0,0,0|2,0,0]=4 17001 B13R1.28 COCCOCSc1ccccc1 62a_100000719477_100000231047 [0,2,0,0,0,0|2,0,0]=4 17002 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [0,2,0,0,0,0|1,0,0]=3 17003 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [0,2,0,0,0,0|1,0,0]=3 17004 B13R1.28 COCCSCCc1ccccn1 34a_100011362645_200000210301 [0,2,0,0,0,0|2,0,0]=4 17005 B13R1.28 COCCSCCc1ccccn1 62a_100000233755_100015183660 [0,2,0,0,0,0|2,0,0]=4 17006 B13R1.28 COCCSCCc1ccccn1 62a_100015183660_100000233755 [0,2,0,0,0,0|2,0,0]=4 17007 B13R1.28 COCCSCCc1ccccn1 7a_100011362645_200000210301 [0,2,0,0,0,0|2,0,0]=4 17008 B13R1.28 COCCSCCc1cccnc1 62a_100000233755_200011713674 [0,2,0,0,0,0|2,0,0]=4 17009 B13R1.28 COCCSCCc1cccnc1 62a_200011713674_100000233755 [0,2,0,0,0,0|2,0,0]=4 17010 B13R1.28 COCCSCCc1ccncc1 34a_200011193335_200000210301 [0,2,0,0,0,0|2,0,0]=4 17011 B13R1.28 COCCSCCc1ccncc1 62a_100000233755_100000723409 [0,2,0,0,0,0|2,0,0]=4 17012 B13R1.28 COCCSCCc1ccncc1 62a_100000723409_100000233755 [0,2,0,0,0,0|2,0,0]=4 17013 B13R1.28 COCCSCCc1ccncc1 7a_200011193335_200000210301 [0,2,0,0,0,0|2,0,0]=4 17014 B13R1.28 COCCSCSc1ccccc1 62a_100000233755_100011218342 [0,2,0,0,0,0|2,0,0]=4 17015 B13R1.28 COCCSCSc1ccccc1 62a_100011218342_100000233755 [0,2,0,0,0,0|2,0,0]=4 17016 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [0,2,0,0,0,0|1,0,0]=3 17017 B13R1.28 COCNCCCc1cccnc1 2230a_100011532358_100000766300 [0,2,0,0,0,0|2,0,0]=4 17018 B13R1.28 COCNCCCc1ccncc1 2230a_100011275580_100000766300 [0,2,0,0,0,0|2,0,0]=4 17019 B13R1.28 COCNCCOc1ccccc1 2230a_100000174943_100000766300 [0,2,0,0,0,0|2,0,0]=4 17020 B13R1.28 COCNCCSc1ccccc1 2230a_100000189519_100000766300 [0,2,0,0,0,0|2,0,0]=4 17021 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [0,2,0,0,0,0|1,0,0]=3 17022 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [0,2,0,0,0,0|1,0,0]=3 17023 B13R1.28 COCSCCOc1ccccc1 62a_100000184471_100000766300 [0,2,0,0,0,0|2,0,0]=4 17024 B13R1.28 COCSCCOc1ccccc1 62a_100000766300_100000184471 [0,2,0,0,0,0|2,0,0]=4 17025 B13R1.28 COCSCCSc1ccccc1 62a_100000246102_100000766300 [0,2,0,0,0,0|2,0,0]=4 17026 B13R1.28 COCSCCSc1ccccc1 62a_100000766300_100000246102 [0,2,0,0,0,0|2,0,0]=4 17027 B13R1.28 COCSCOCc1ccccc1 62a_100000763385_100000766300 [0,2,0,0,0,0|2,0,0]=4 17028 B13R1.28 COCSCOCc1ccccc1 62a_100000766300_100000763385 [0,2,0,0,0,0|2,0,0]=4 17029 B13R1.28 COCSCSCc1ccccc1 62a_100000766300_200011217039 [0,2,0,0,0,0|2,0,0]=4 17030 B13R1.28 COCSCSCc1ccccc1 62a_200011217039_100000766300 [0,2,0,0,0,0|2,0,0]=4 17031 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,2,0,0,0,0|1,0,0]=3 17032 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,2,0,0,0,0|1,0,0]=3 17033 B13R1.28 CSCCCCOc1ccccc1 62a_100011215240_200000210301 [0,2,0,0,0,0|1,0,0]=3 17034 B13R1.28 CSCCCCOc1ccccc1 62a_200000210301_100011215240 [0,2,0,0,0,0|1,0,0]=3 17035 B13R1.28 CSCCCNCc1ccccc1 207a_100000749238_100015611070 [0,2,0,0,0,0|1,0,0]=3 17036 B13R1.28 CSCCCNCc1ccccc1 2230a_100000749238_100015291786 [0,2,0,0,0,0|1,0,0]=3 17037 B13R1.28 CSCCCNCc1ccccc1 270004a_100000749238_100015611070 [0,2,0,0,0,0|1,0,0]=3 17038 B13R1.28 CSCCCNCc1ccccn1 207a_100000749238_100000209966 [0,2,0,0,0,0|2,0,0]=4 17039 B13R1.28 CSCCCNCc1ccccn1 2230a_100000749238_100000721315 [0,2,0,0,0,0|2,0,0]=4 17040 B13R1.28 CSCCCNCc1ccccn1 270004a_100000749238_100000209966 [0,2,0,0,0,0|2,0,0]=4 17041 B13R1.28 CSCCCNCc1cccnc1 207a_100000749238_100000209961 [0,2,0,0,0,0|2,0,0]=4 17042 B13R1.28 CSCCCNCc1cccnc1 2230a_100000749238_100000741622 [0,2,0,0,0,0|2,0,0]=4 17043 B13R1.28 CSCCCNCc1cccnc1 270004a_100000749238_100000209961 [0,2,0,0,0,0|2,0,0]=4 17044 B13R1.28 CSCCCNCc1ccncc1 207a_100000749238_100000186114 [0,2,0,0,0,0|2,0,0]=4 17045 B13R1.28 CSCCCNCc1ccncc1 2230a_100000749238_100015193705 [0,2,0,0,0,0|2,0,0]=4 17046 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [0,2,0,0,0,0|1,0,0]=3 17047 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [0,2,0,0,0,0|1,0,0]=3 17048 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [0,2,0,0,0,0|1,0,0]=3 17049 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [0,2,0,0,0,0|1,0,0]=3 17050 B13R1.28 CSCCCOCc1ccccn1 34a_100000690336_100000721315 [0,2,0,0,0,0|2,0,0]=4 17051 B13R1.28 CSCCCOCc1ccccn1 7a_100000690336_100000721315 [0,2,0,0,0,0|2,0,0]=4 17052 B13R1.28 CSCCCOCc1cccnc1 34a_100000690336_100000733263 [0,2,0,0,0,0|2,0,0]=4 17053 B13R1.28 CSCCCOCc1cccnc1 7a_100000690336_100000741622 [0,2,0,0,0,0|2,0,0]=4 17054 B13R1.28 CSCCCOCc1ccncc1 7a_100000690336_100015193705 [0,2,0,0,0,0|2,0,0]=4 17055 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [0,2,0,0,0,0|1,0,0]=3 17056 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [0,2,0,0,0,0|1,0,0]=3 17057 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [0,2,0,0,0,0|1,0,0]=3 17058 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [0,2,0,0,0,0|2,0,0]=4 17059 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [0,2,0,0,0,0|2,0,0]=4 17060 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [0,2,0,0,0,0|2,0,0]=4 17061 B13R1.28 CSCCNCCc1ccncc1 2230a_100020590264_100000723409 [0,2,0,0,0,0|2,0,0]=4 17062 B13R1.28 CSCCNCSc1ccccc1 2230a_100020590264_100011218342 [0,2,0,0,0,0|2,0,0]=4 17063 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,2,0,0,0,0|1,0,0]=3 17064 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,2,0,0,0,0|1,0,0]=3 17065 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,2,0,0,0,0|1,0,0]=3 17066 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,2,0,0,0,0|1,0,0]=3 17067 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [0,2,0,0,0,0|2,0,0]=4 17068 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [0,2,0,0,0,0|2,0,0]=4 17069 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,2,0,0,0,0|2,0,0]=4 17070 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,2,0,0,0,0|2,0,0]=4 17071 B13R1.28 CSCCOCCc1ccncc1 34a_100011216225_100000212216 [0,2,0,0,0,0|2,0,0]=4 17072 B13R1.28 CSCCOCCc1ccncc1 7a_100000230434_100000723409 [0,2,0,0,0,0|2,0,0]=4 17073 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [0,2,0,0,0,0|1,0,0]=3 17074 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [0,2,0,0,0,0|1,0,0]=3 17075 B13R1.28 CSCCSCCc1ccccn1 62a_100000212216_100015183660 [0,2,0,0,0,0|2,0,0]=4 17076 B13R1.28 CSCCSCCc1ccccn1 62a_100015183660_100000751147 [0,2,0,0,0,0|2,0,0]=4 17077 B13R1.28 CSCCSCCc1cccnc1 62a_100000212216_200011713674 [0,2,0,0,0,0|2,0,0]=4 17078 B13R1.28 CSCCSCCc1cccnc1 62a_200011713674_100000751147 [0,2,0,0,0,0|2,0,0]=4 17079 B13R1.28 CSCCSCCc1ccncc1 62a_100000212216_100000723409 [0,2,0,0,0,0|2,0,0]=4 17080 B13R1.28 CSCCSCCc1ccncc1 62a_100000723409_100000751147 [0,2,0,0,0,0|2,0,0]=4 17081 B13R1.28 CSCCSCSc1ccccc1 62a_100000212216_100011218342 [0,2,0,0,0,0|2,0,0]=4 17082 B13R1.28 CSCCSCSc1ccccc1 62a_100011218342_100000751147 [0,2,0,0,0,0|2,0,0]=4 17083 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [0,2,0,0,0,0|1,0,0]=3 17084 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [0,2,0,0,0,0|1,0,0]=3 17085 B13R1.28 CSCNCCCc1cccnc1 2230a_100011532358_100011218213 [0,2,0,0,0,0|2,0,0]=4 17086 B13R1.28 CSCNCCCc1cccnc1 34a_100011532358_100011218213 [0,2,0,0,0,0|2,0,0]=4 17087 B13R1.28 CSCNCCCc1ccncc1 2230a_100011275580_100011218213 [0,2,0,0,0,0|2,0,0]=4 17088 B13R1.28 CSCNCCOc1ccccc1 2230a_100000174943_100011218213 [0,2,0,0,0,0|2,0,0]=4 17089 B13R1.28 CSCNCCOc1ccccc1 34a_100000174943_100011218213 [0,2,0,0,0,0|2,0,0]=4 17090 B13R1.28 CSCNCCSc1ccccc1 2230a_100000189519_100011218213 [0,2,0,0,0,0|2,0,0]=4 17091 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [0,2,0,0,0,0|1,0,0]=3 17092 B13R1.28 CSCOCCCc1ccccn1 34a_100011215068_100011218213 [0,2,0,0,0,0|2,0,0]=4 17093 B13R1.28 CSCOCCCc1cccnc1 34a_100000211284_100011218213 [0,2,0,0,0,0|2,0,0]=4 17094 B13R1.28 CSCOCCCc1ccncc1 34a_100000210659_100011218213 [0,2,0,0,0,0|2,0,0]=4 17095 B13R1.28 CSCOCCNc1ccccc1 34a_100000211345_100011218213 [0,2,0,0,0,0|2,0,0]=4 17096 B13R1.28 CSCOCCOc1ccccc1 34a_100000210260_100011218213 [0,2,0,0,0,0|2,0,0]=4 17097 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [0,2,0,0,0,0|1,0,0]=3 17098 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [0,2,0,0,0,0|1,0,0]=3 17099 B13R1.28 CSCSCCOc1ccccc1 62a_100000184471_100011218213 [0,2,0,0,0,0|2,0,0]=4 17100 B13R1.28 CSCSCCOc1ccccc1 62a_100011218213_100000184471 [0,2,0,0,0,0|2,0,0]=4 17101 B13R1.28 CSCSCCSc1ccccc1 62a_100000246102_100011218213 [0,2,0,0,0,0|2,0,0]=4 17102 B13R1.28 CSCSCCSc1ccccc1 62a_100011218213_100000246102 [0,2,0,0,0,0|2,0,0]=4 17103 B13R1.28 CSCSCOCc1ccccc1 62a_100000763385_100011218213 [0,2,0,0,0,0|2,0,0]=4 17104 B13R1.28 CSCSCOCc1ccccc1 62a_100011218213_100000763385 [0,2,0,0,0,0|2,0,0]=4 17105 B13R1.28 CSCSCSCc1ccccc1 62a_100011218213_200011217039 [0,2,0,0,0,0|2,0,0]=4 17106 B13R1.28 CSCSCSCc1ccccc1 62a_200011217039_100011218213 [0,2,0,0,0,0|2,0,0]=4 17107 B13R1.28 ClCC#CCOCc1ccccc1 34a_200000047223_100015291786 [0,2,0,0,0,0|1,0,1]=4 17108 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [0,2,0,0,0,0|1,0,0]=3 17109 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [0,2,0,0,0,0|1,0,0]=3 17110 B13R1.28 ClCCCCOCc1ccccn1 34a_100000210776_100000721315 [0,2,0,0,0,0|2,0,0]=4 17111 B13R1.28 ClCCCCOCc1ccccn1 7a_100000210776_100000721315 [0,2,0,0,0,0|2,0,0]=4 17112 B13R1.28 ClCCCCOCc1cccnc1 34a_100000210776_100000733263 [0,2,0,0,0,0|2,0,0]=4 17113 B13R1.28 ClCCCCOCc1cccnc1 7a_100000210776_100000741622 [0,2,0,0,0,0|2,0,0]=4 17114 B13R1.28 ClCCCCOCc1ccncc1 7a_100000210776_100015193705 [0,2,0,0,0,0|2,0,0]=4 17115 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [0,2,0,0,0,0|1,0,0]=3 17116 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [0,2,0,0,0,0|1,0,0]=3 17117 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [0,2,0,0,0,0|1,0,0]=3 17118 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [0,2,0,0,0,0|1,0,0]=3 17119 B13R1.28 FCCCCCOc1cccnc1 34a_100000210849_100000729378 [0,2,0,0,0,0|2,0,0]=4 17120 B13R1.28 FCCCCCOc1cccnc1 7a_100000210849_100000729378 [0,2,0,0,0,0|2,0,0]=4 17121 B13R1.28 FCCCCCOc1ccncc1 34a_100000212176_100000729378 [0,2,0,0,0,0|2,0,0]=4 17122 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [0,2,0,0,0,0|1,0,0]=3 17123 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [0,2,0,0,0,0|1,0,0]=3 17124 B13R1.28 FCCCCCSc1ccccn1 62a_100000729378_100011216584 [0,2,0,0,0,0|2,0,0]=4 17125 B13R1.28 FCCCCCSc1ccccn1 62a_100011216584_100000729378 [0,2,0,0,0,0|2,0,0]=4 17126 B13R1.28 FCCCCCSc1cccnc1 62a_100000210063_100000729378 [0,2,0,0,0,0|2,0,0]=4 17127 B13R1.28 FCCCCCSc1cccnc1 62a_100000729378_100000210063 [0,2,0,0,0,0|2,0,0]=4 17128 B13R1.28 FCCCCCSc1ccncc1 62a_100000728582_100000729378 [0,2,0,0,0,0|2,0,0]=4 17129 B13R1.28 FCCCCCSc1ccncc1 62a_100000729378_100000728582 [0,2,0,0,0,0|2,0,0]=4 17130 B13R1.28 FCCCCNCc1ccccc1 2230a_100015324214_100000729493 [0,2,0,0,0,0|1,0,0]=3 17131 B13R1.28 FCCCCNCc1ccccc1 34a_100015324214_100000729493 [0,2,0,0,0,0|1,0,0]=3 17132 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [0,2,0,0,0,0|1,0,0]=3 17133 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [0,2,0,0,0,0|1,0,0]=3 17134 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [0,2,0,0,0,0|1,0,0]=3 17135 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [0,2,0,0,0,0|1,0,0]=3 17136 B13R1.28 FCCCCOCc1ccccn1 34a_100011995726_100000721315 [0,2,0,0,0,0|2,0,0]=4 17137 B13R1.28 FCCCCOCc1ccccn1 7a_100011995726_100000721315 [0,2,0,0,0,0|2,0,0]=4 17138 B13R1.28 FCCCCOCc1cccnc1 34a_100011995726_100000733263 [0,2,0,0,0,0|2,0,0]=4 17139 B13R1.28 FCCCCOCc1cccnc1 7a_100011995726_100000741622 [0,2,0,0,0,0|2,0,0]=4 17140 B13R1.28 FCCCCOCc1ccncc1 7a_100011995726_100015193705 [0,2,0,0,0,0|2,0,0]=4 17141 B13R1.28 FCCCCSCc1ccccc1 62a_100000211182_100000729493 [0,2,0,0,0,0|1,0,0]=3 17142 B13R1.28 FCCCCSCc1ccccc1 62a_100000729493_100015291786 [0,2,0,0,0,0|1,0,0]=3 17143 B13R1.28 FCCCCSCc1ccccn1 62a_100000721315_100000729493 [0,2,0,0,0,0|2,0,0]=4 17144 B13R1.28 FCCCCSCc1ccccn1 62a_100000729493_100000721315 [0,2,0,0,0,0|2,0,0]=4 17145 B13R1.28 FCCCCSCc1cccnc1 62a_100000729493_100000741622 [0,2,0,0,0,0|2,0,0]=4 17146 B13R1.28 FCCCCSCc1cccnc1 62a_100000741622_100000729493 [0,2,0,0,0,0|2,0,0]=4 17147 B13R1.28 FCCCCSCc1ccncc1 62a_100000729493_100015193705 [0,2,0,0,0,0|2,0,0]=4 17148 B13R1.28 FCCCCSCc1ccncc1 62a_100015193705_100000729493 [0,2,0,0,0,0|2,0,0]=4 17149 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [0,2,0,0,0,0|1,0,0]=3 17150 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [0,2,0,0,0,0|1,0,0]=3 17151 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [0,2,0,0,0,0|1,0,0]=3 17152 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [0,2,0,0,0,0|1,0,0]=3 17153 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [0,2,0,0,0,0|2,0,0]=4 17154 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [0,2,0,0,0,0|2,0,0]=4 17155 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [0,2,0,0,0,0|2,0,0]=4 17156 B13R1.28 FCCCNCCc1ccncc1 2230a_100015189416_100000723409 [0,2,0,0,0,0|2,0,0]=4 17157 B13R1.28 FCCCNCSc1ccccc1 2230a_100015189416_100011218342 [0,2,0,0,0,0|1,0,0]=3 17158 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [0,2,0,0,0,0|1,0,0]=3 17159 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [0,2,0,0,0,0|1,0,0]=3 17160 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [0,2,0,0,0,0|1,0,0]=3 17161 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [0,2,0,0,0,0|2,0,0]=4 17162 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [0,2,0,0,0,0|2,0,0]=4 17163 B13R1.28 FCCCOCCc1ccncc1 34a_100011216225_100011934791 [0,2,0,0,0,0|2,0,0]=4 17164 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [0,2,0,0,0,0|1,0,0]=3 17165 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [0,2,0,0,0,0|1,0,0]=3 17166 B13R1.28 FCCCSCCc1ccccn1 62a_100011934791_100015183660 [0,2,0,0,0,0|2,0,0]=4 17167 B13R1.28 FCCCSCCc1ccccn1 62a_100015183660_100011934791 [0,2,0,0,0,0|2,0,0]=4 17168 B13R1.28 FCCCSCCc1cccnc1 62a_100011934791_200011713674 [0,2,0,0,0,0|2,0,0]=4 17169 B13R1.28 FCCCSCCc1cccnc1 62a_200011713674_100011934791 [0,2,0,0,0,0|2,0,0]=4 17170 B13R1.28 FCCCSCCc1ccncc1 62a_100000723409_100011934791 [0,2,0,0,0,0|2,0,0]=4 17171 B13R1.28 FCCCSCCc1ccncc1 62a_100011934791_100000723409 [0,2,0,0,0,0|2,0,0]=4 17172 B13R1.28 FCCCSCSc1ccccc1 62a_100011218342_100011934791 [0,2,0,0,0,0|1,0,0]=3 17173 B13R1.28 FCCCSCSc1ccccc1 62a_100011934791_100011218342 [0,2,0,0,0,0|1,0,0]=3 17174 B13R1.28 FCCNC/C=C/c1ccccc1 2230a_100020603302_100011217306 [0,2,0,0,0,0|1,0,1]=4 17175 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100000724931_100016265936 [0,2,0,0,0,0|1,0,1]=4 17176 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100020603302_100011217306 [0,2,0,0,0,0|1,0,1]=4 17177 B13R1.28 FCCNCC#Cc1ccccc1 34a_100000724931_100011352542 [0,2,0,0,0,0|1,0,1]=4 17178 B13R1.28 FCCNCC#Cc1ccccc1 34a_100000735379_100011217306 [0,2,0,0,0,0|1,0,1]=4 17179 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [0,2,0,0,0,0|1,0,0]=3 17180 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [0,2,0,0,0,0|1,0,0]=3 17181 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [0,2,0,0,0,0|1,0,0]=3 17182 B13R1.28 FCCNCCCc1cccnc1 2230a_100011532358_100011217306 [0,2,0,0,0,0|2,0,0]=4 17183 B13R1.28 FCCNCCCc1cccnc1 34a_100011532358_100011217306 [0,2,0,0,0,0|2,0,0]=4 17184 B13R1.28 FCCNCCCc1ccncc1 2230a_100011275580_100011217306 [0,2,0,0,0,0|2,0,0]=4 17185 B13R1.28 FCCNCCOc1ccccc1 2230a_100000174943_100011217306 [0,2,0,0,0,0|1,0,0]=3 17186 B13R1.28 FCCNCCOc1ccccc1 34a_100000174943_100011217306 [0,2,0,0,0,0|1,0,0]=3 17187 B13R1.28 FCCNCCOc1ccccc1 34a_100000724931_100000184471 [0,2,0,0,0,0|1,0,0]=3 17188 B13R1.28 FCCNCCOc1ccccn1 2230a_106741647558_100011217306 [0,2,0,0,0,0|2,0,0]=4 17189 B13R1.28 FCCNCCOc1cccnc1 2230a_100000754688_100011217306 [0,2,0,0,0,0|2,0,0]=4 17190 B13R1.28 FCCNCCSc1ccccc1 2230a_100000189519_100011217306 [0,2,0,0,0,0|1,0,0]=3 17191 B13R1.28 FCCNCCSc1ccccc1 34a_100000724931_100000246102 [0,2,0,0,0,0|1,0,0]=3 17192 B13R1.28 FCCNCOCc1ccccc1 34a_100000724931_100000763385 [0,2,0,0,0,0|1,0,0]=3 17193 B13R1.28 FCCNCSCc1ccccc1 34a_100000724931_200011217039 [0,2,0,0,0,0|1,0,0]=3 17194 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [0,2,0,0,0,0|1,0,1]=4 17195 B13R1.28 FCCOCC#Cc1ccccc1 34a_100011217464_100011217306 [0,2,0,0,0,0|1,0,1]=4 17196 B13R1.28 FCCOCC#Cc1ccccc1 7a_100011217464_100011217306 [0,2,0,0,0,0|1,0,1]=4 17197 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,2,0,0,0,0|1,0,0]=3 17198 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,2,0,0,0,0|1,0,0]=3 17199 B13R1.28 FCCOCCCc1ccccn1 34a_100011215068_100011217306 [0,2,0,0,0,0|2,0,0]=4 17200 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [0,2,0,0,0,0|2,0,0]=4 17201 B13R1.28 FCCOCCCc1ccncc1 34a_100000210659_100011217306 [0,2,0,0,0,0|2,0,0]=4 17202 B13R1.28 FCCOCCNc1ccccc1 34a_100000211345_100011217306 [0,2,0,0,0,0|1,0,0]=3 17203 B13R1.28 FCCOCCNc1ccncc1 34a_200011243140_100011217306 [0,2,0,0,0,0|2,0,0]=4 17204 B13R1.28 FCCOCCOc1ccccc1 34a_100000210260_100011217306 [0,2,0,0,0,0|1,0,0]=3 17205 B13R1.28 FCCOCCOc1ccccc1 7a_100000210260_100011217306 [0,2,0,0,0,0|1,0,0]=3 17206 B13R1.28 FCCOCCSc1ccccc1 7a_100000230494_100011217306 [0,2,0,0,0,0|1,0,0]=3 17207 B13R1.28 FCCOCCSc1ccccn1 7a_100000156319_100011217306 [0,2,0,0,0,0|2,0,0]=4 17208 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100011217306_100016265936 [0,2,0,0,0,0|1,0,1]=4 17209 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100016265936_100011217306 [0,2,0,0,0,0|1,0,1]=4 17210 B13R1.28 FCCSCC#Cc1ccccc1 62a_100011217306_100011352542 [0,2,0,0,0,0|1,0,1]=4 17211 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [0,2,0,0,0,0|1,0,0]=3 17212 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [0,2,0,0,0,0|1,0,0]=3 17213 B13R1.28 FCCSCCOc1ccccc1 62a_100000184471_100011217306 [0,2,0,0,0,0|1,0,0]=3 17214 B13R1.28 FCCSCCOc1ccccc1 62a_100011217306_100000184471 [0,2,0,0,0,0|1,0,0]=3 17215 B13R1.28 FCCSCCSc1ccccc1 62a_100000246102_100011217306 [0,2,0,0,0,0|1,0,0]=3 17216 B13R1.28 FCCSCCSc1ccccc1 62a_100011217306_100000246102 [0,2,0,0,0,0|1,0,0]=3 17217 B13R1.28 FCCSCOCc1ccccc1 62a_100000763385_100011217306 [0,2,0,0,0,0|1,0,0]=3 17218 B13R1.28 FCCSCOCc1ccccc1 62a_100011217306_100000763385 [0,2,0,0,0,0|1,0,0]=3 17219 B13R1.28 FCCSCSCc1ccccc1 62a_100011217306_200011217039 [0,2,0,0,0,0|1,0,0]=3 17220 B13R1.28 FCCSCSCc1ccccc1 62a_200011217039_100011217306 [0,2,0,0,0,0|1,0,0]=3 17221 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [0,2,0,0,0,0|0,0,0]=2 17222 B13R1.28 FCNCCCOc1ccccc1 34a_100000216521_100015361967 [0,2,0,0,0,0|1,0,0]=3 17223 B13R1.28 FCNCCOCc1ccccc1 34a_100000753106_100015361967 [0,2,0,0,0,0|1,0,0]=3 17224 B13R1.28 FCNCCSCc1ccccc1 34a_100000189534_100015361967 [0,2,0,0,0,0|1,0,0]=3 17225 B13R1.28 FCNCCSCc1ccccc1 7a_100000189534_100015361967 [0,2,0,0,0,0|1,0,0]=3 17226 B13R1.28 FCOCCC#Cc1ccccc1 34a_100000760064_100015361967 [0,2,0,0,0,0|1,0,1]=4 17227 B13R1.28 FCOCCC#Cc1ccccc1 7a_100000760064_100015361967 [0,2,0,0,0,0|1,0,1]=4 17228 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [0,2,0,0,0,0|1,0,0]=3 17229 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [0,2,0,0,0,0|1,0,0]=3 17230 B13R1.28 FCOCCCCc1ccccn1 34a_100012186994_100015361967 [0,2,0,0,0,0|2,0,0]=4 17231 B13R1.28 FCOCCCCc1cccnc1 34a_100012039607_100015361967 [0,2,0,0,0,0|2,0,0]=4 17232 B13R1.28 FCOCCCCc1cccnc1 7a_100012039607_100015361967 [0,2,0,0,0,0|2,0,0]=4 17233 B13R1.28 FCOCCCCc1ccncc1 34a_100011787716_100015361967 [0,2,0,0,0,0|2,0,0]=4 17234 B13R1.28 FCOCCCNc1ccccc1 34a_100000212590_100015361967 [0,2,0,0,0,0|1,0,0]=3 17235 B13R1.28 FCOCCCOc1ccccc1 34a_100011215863_100015361967 [0,2,0,0,0,0|1,0,0]=3 17236 B13R1.28 FCOCCCOc1ccccc1 7a_100011215863_100015361967 [0,2,0,0,0,0|1,0,0]=3 17237 B13R1.28 FCOCCNCc1ccccc1 34a_100000180844_100015361967 [0,2,0,0,0,0|1,0,0]=3 17238 B13R1.28 FCOCCOCc1ccccc1 34a_100000759325_100015361967 [0,2,0,0,0,0|1,0,0]=3 17239 B13R1.28 FCOCCOCc1ccccc1 7a_100000759325_100015361967 [0,2,0,0,0,0|1,0,0]=3 17240 B13R1.28 FCOCCSCc1ccccc1 34a_100011205989_100015361967 [0,2,0,0,0,0|1,0,0]=3 17241 B13R1.28 FCOCCSCc1ccccc1 7a_100011205989_100015361967 [0,2,0,0,0,0|1,0,0]=3 17242 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [0,2,0,0,0,0|1,0,0]=3 17243 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [0,2,0,0,0,0|1,0,0]=3 17244 B13R1.28 FCSCCCCc1ccncc1 62a_100015361967_100020630000 [0,2,0,0,0,0|2,0,0]=4 17245 B13R1.28 FCSCCCCc1ccncc1 62a_100020630000_100015361967 [0,2,0,0,0,0|2,0,0]=4 17246 B13R1.28 FCSCCCOc1ccccc1 62a_100000199009_100015361967 [0,2,0,0,0,0|1,0,0]=3 17247 B13R1.28 FCSCCCOc1ccccc1 62a_100015361967_100000199009 [0,2,0,0,0,0|1,0,0]=3 17248 B13R1.28 FCSCCCSc1ccccc1 62a_100015361967_200011203293 [0,2,0,0,0,0|1,0,0]=3 17249 B13R1.28 FCSCCCSc1ccccc1 62a_200011203293_100015361967 [0,2,0,0,0,0|1,0,0]=3 17250 B13R1.28 FCSCCOCc1ccccc1 62a_100000234347_100015361967 [0,2,0,0,0,0|1,0,0]=3 17251 B13R1.28 FCSCCOCc1ccccc1 62a_100015361967_100000234347 [0,2,0,0,0,0|1,0,0]=3 17252 B13R1.28 FCSCCSCc1ccccc1 62a_100015361967_200011297719 [0,2,0,0,0,0|1,0,0]=3 17253 B13R1.28 FCSCCSCc1ccccc1 62a_200011297719_100015361967 [0,2,0,0,0,0|1,0,0]=3 17254 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [0,2,0,0,0,0|1,0,0]=3 17255 B13R1.28 ICCCCOCc1ccccn1 34a_200012148704_100000721315 [0,2,0,0,0,0|2,0,0]=4 17256 B13R1.28 ICCCCOCc1cccnc1 34a_200012148704_100000733263 [0,2,0,0,0,0|2,0,0]=4 17257 B13R1.28 N#CCCCCOc1ccccc1 7a_100000210340_100000211819 [0,2,0,0,0,0|0,0,1]=3 17258 B13R1.28 N#CCCCCOc1cccnc1 7a_100000210849_100000211819 [0,2,0,0,0,0|1,0,1]=4 17259 B13R1.28 N#CCCCCSc1ccccc1 62a_100000719477_100000211819 [0,2,0,0,0,0|0,0,1]=3 17260 B13R1.28 N#CCCCCSc1ccccc1 62a_100011219923_100000041952 [0,2,0,0,0,0|0,0,1]=3 17261 B13R1.28 N#CCCCCSc1ccccn1 62a_100011216584_100000211819 [0,2,0,0,0,0|1,0,1]=4 17262 B13R1.28 N#CCCCCSc1ccccn1 62a_100011219923_100011216584 [0,2,0,0,0,0|1,0,1]=4 17263 B13R1.28 N#CCCCCSc1cccnc1 62a_100000210063_100000211819 [0,2,0,0,0,0|1,0,1]=4 17264 B13R1.28 N#CCCCCSc1cccnc1 62a_100011219923_100000210063 [0,2,0,0,0,0|1,0,1]=4 17265 B13R1.28 N#CCCCCSc1ccncc1 62a_100000728582_100000211819 [0,2,0,0,0,0|1,0,1]=4 17266 B13R1.28 N#CCCCCSc1ccncc1 62a_100011219923_100000728582 [0,2,0,0,0,0|1,0,1]=4 17267 B13R1.28 N#CCCCNCc1ccccc1 2230a_100015324214_100000687738 [0,2,0,0,0,0|0,0,1]=3 17268 B13R1.28 N#CCCCOCc1ccccc1 7a_100000210790_100000687738 [0,2,0,0,0,0|0,0,1]=3 17269 B13R1.28 N#CCCCSCc1ccccc1 62a_100000211182_100000687738 [0,2,0,0,0,0|0,0,1]=3 17270 B13R1.28 N#CCCCSCc1ccccc1 62a_100000687738_100015291786 [0,2,0,0,0,0|0,0,1]=3 17271 B13R1.28 N#CCCCSCc1ccccn1 62a_100000687738_100000721315 [0,2,0,0,0,0|1,0,1]=4 17272 B13R1.28 N#CCCCSCc1ccccn1 62a_100000721315_100000687738 [0,2,0,0,0,0|1,0,1]=4 17273 B13R1.28 N#CCCCSCc1cccnc1 62a_100000687738_100000741622 [0,2,0,0,0,0|1,0,1]=4 17274 B13R1.28 N#CCCCSCc1cccnc1 62a_100000741622_100000687738 [0,2,0,0,0,0|1,0,1]=4 17275 B13R1.28 N#CCCCSCc1ccncc1 62a_100000687738_100015193705 [0,2,0,0,0,0|1,0,1]=4 17276 B13R1.28 N#CCCCSCc1ccncc1 62a_100015193705_100000687738 [0,2,0,0,0,0|1,0,1]=4 17277 B13R1.28 N#CCCNCCc1ccccc1 2230a_100000106460_100011215226 [0,2,0,0,0,0|0,0,1]=3 17278 B13R1.28 N#CCCNCCc1cccnc1 2230a_100000736294_100011215226 [0,2,0,0,0,0|1,0,1]=4 17279 B13R1.28 N#CCCOCCc1ccccc1 7a_100000210268_100000184422 [0,2,0,0,0,0|0,0,1]=3 17280 B13R1.28 N#CCCSCCc1ccccc1 62a_100000765856_100011215226 [0,2,0,0,0,0|0,0,1]=3 17281 B13R1.28 N#CCCSCCc1ccccc1 62a_100011215226_100011218657 [0,2,0,0,0,0|0,0,1]=3 17282 B13R1.28 N#CCCSCCc1ccccn1 62a_100011215226_100015183660 [0,2,0,0,0,0|1,0,1]=4 17283 B13R1.28 N#CCCSCCc1ccccn1 62a_100015183660_100011215226 [0,2,0,0,0,0|1,0,1]=4 17284 B13R1.28 N#CCCSCCc1cccnc1 62a_100011215226_200011713674 [0,2,0,0,0,0|1,0,1]=4 17285 B13R1.28 N#CCCSCCc1cccnc1 62a_200011713674_100011215226 [0,2,0,0,0,0|1,0,1]=4 17286 B13R1.28 N#CCCSCCc1ccncc1 62a_100000723409_100011215226 [0,2,0,0,0,0|1,0,1]=4 17287 B13R1.28 N#CCCSCCc1ccncc1 62a_100011215226_100000723409 [0,2,0,0,0,0|1,0,1]=4 17288 B13R1.28 N#CCCSCSc1ccccc1 62a_100011215226_100011218342 [0,2,0,0,0,0|0,0,2]=4 17289 B13R1.28 N#CCCSCSc1ccccc1 62a_100011218342_100011215226 [0,2,0,0,0,0|0,0,2]=4 17290 B13R1.28 N#CCNCCCc1ccccc1 2230a_100000211184_100011215382 [0,2,0,0,0,0|0,0,1]=3 17291 B13R1.28 N#CCNCCCc1cccnc1 2230a_100011532358_100011215382 [0,2,0,0,0,0|1,0,1]=4 17292 B13R1.28 N#CCNCCCc1ccncc1 2230a_100011275580_100011215382 [0,2,0,0,0,0|1,0,1]=4 17293 B13R1.28 N#CCNCCOc1ccccc1 2230a_100000174943_100011215382 [0,2,0,0,0,0|0,0,2]=4 17294 B13R1.28 N#CCNCCSc1ccccc1 2230a_100000189519_100011215382 [0,2,0,0,0,0|0,0,2]=4 17295 B13R1.28 N#CCOCCCc1ccccc1 7a_100000210828_100011215382 [0,2,0,0,0,0|0,0,1]=3 17296 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210260_100011215382 [0,2,0,0,0,0|0,0,2]=4 17297 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210340_200000047693 [0,2,0,0,0,0|0,0,2]=4 17298 B13R1.28 N#CCOCCSc1ccccc1 62a_100000719477_200000047693 [0,2,0,0,0,0|0,0,2]=4 17299 B13R1.28 N#CCOCCSc1ccccc1 62a_200000047693_100000041952 [0,2,0,0,0,0|0,0,2]=4 17300 B13R1.28 N#CCOCCSc1ccccc1 7a_100000230494_100011215382 [0,2,0,0,0,0|0,0,2]=4 17301 B13R1.28 N#CCSCCCc1ccccc1 62a_100000211621_100011215382 [0,2,0,0,0,0|0,0,1]=3 17302 B13R1.28 N#CCSCCCc1ccccc1 62a_100011215382_100000211621 [0,2,0,0,0,0|0,0,1]=3 17303 B13R1.28 N#CCSCCOc1ccccc1 62a_100000184471_100011215382 [0,2,0,0,0,0|0,0,2]=4 17304 B13R1.28 N#CCSCCOc1ccccc1 62a_100011215382_100000184471 [0,2,0,0,0,0|0,0,2]=4 17305 B13R1.28 N#CCSCCSc1ccccc1 62a_100000246102_100011215382 [0,2,0,0,0,0|0,0,2]=4 17306 B13R1.28 N#CCSCCSc1ccccc1 62a_100011215382_100000246102 [0,2,0,0,0,0|0,0,2]=4 17307 B13R1.28 N#CCSCOCc1ccccc1 62a_100000763385_100011215382 [0,2,0,0,0,0|0,0,2]=4 17308 B13R1.28 N#CCSCOCc1ccccc1 62a_100011215382_100000763385 [0,2,0,0,0,0|0,0,2]=4 17309 B13R1.28 N#CCSCSCc1ccccc1 62a_100011215382_200011217039 [0,2,0,0,0,0|0,0,2]=4 17310 B13R1.28 N#CCSCSCc1ccccc1 62a_200011217039_100011215382 [0,2,0,0,0,0|0,0,2]=4 17311 B13R1.28 N#CSCCSCc1ccccc1 62a_100000034367_100015291786 [0,2,0,0,0,0|0,0,2]=4 17312 B13R1.28 N#CSCCSCc1ccccc1 62a_100000211182_100000034367 [0,2,0,0,0,0|0,0,2]=4 17313 B13R1.28 N#CSCSCCc1ccccc1 62a_100000211825_100011218657 [0,2,0,0,0,0|0,0,2]=4 17314 B13R1.28 N#CSCSCCc1ccccc1 62a_100000765856_100000211825 [0,2,0,0,0,0|0,0,2]=4 17315 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [0,2,0,0,0,0|0,0,0]=2 17316 B13R1.28 NCCCCOCc1ccccn1 34a_100000750430_100000721315 [0,2,0,0,0,0|1,0,0]=3 17317 B13R1.28 NCCCCOCc1cccnc1 34a_100000750430_100000733263 [0,2,0,0,0,0|1,0,0]=3 17318 B13R1.28 NCCCCOCc1cccnn1 34a_100000750430_100016990269 [0,2,0,0,0,0|2,0,0]=4 17319 B13R1.28 NCCCCOCc1cnccn1 34a_100000750430_100016995436 [0,2,0,0,0,0|2,0,0]=4 17320 B13R1.28 NCCCCOCc1cncnc1 34a_100000750430_100015196519 [0,2,0,0,0,0|2,0,0]=4 17321 B13R1.28 NCCCCOCc1ncccn1 34a_100000750430_100000703007 [0,2,0,0,0,0|2,0,0]=4 17322 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [0,2,0,0,0,0|0,0,0]=2 17323 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [0,2,0,0,0,0|0,0,1]=3 17324 B13R1.28 NCCOCC#Cc1ccccc1 34a_100000210304_100011352542 [0,2,0,0,0,0|0,0,1]=3 17325 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,2,0,0,0,0|0,0,0]=2 17326 B13R1.28 NCCOCCOc1ccccc1 34a_100000210304_100000184471 [0,2,0,0,0,0|0,0,0]=2 17327 B13R1.28 NCCOCCSc1ccccc1 34a_100000210304_100000246102 [0,2,0,0,0,0|0,0,0]=2 17328 B13R1.28 NCCOCOCc1ccccc1 34a_100000210304_100000763385 [0,2,0,0,0,0|0,0,0]=2 17329 B13R1.28 NCCOCSCc1ccccc1 34a_100000210304_200011217039 [0,2,0,0,0,0|0,0,0]=2 17330 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [0,2,0,0,0,0|0,0,0]=2 17331 B13R1.28 O=CCCCCOc1ccccc1 7a_100000210340_100000139335 [0,2,0,0,0,0|1,0,0]=3 17332 B13R1.28 O=CCCCCOc1cccnc1 7a_100000210849_100000139335 [0,2,0,0,0,0|2,0,0]=4 17333 B13R1.28 O=CCCCCSc1ccccc1 62a_100000139335_100000041952 [0,2,0,0,0,0|1,0,0]=3 17334 B13R1.28 O=CCCCCSc1ccccc1 62a_100000719477_100000139335 [0,2,0,0,0,0|1,0,0]=3 17335 B13R1.28 O=CCCCCSc1ccccn1 62a_100000139335_100011216584 [0,2,0,0,0,0|2,0,0]=4 17336 B13R1.28 O=CCCCCSc1ccccn1 62a_100011216584_100000139335 [0,2,0,0,0,0|2,0,0]=4 17337 B13R1.28 O=CCCCCSc1cccnc1 62a_100000139335_100000210063 [0,2,0,0,0,0|2,0,0]=4 17338 B13R1.28 O=CCCCCSc1cccnc1 62a_100000210063_100000139335 [0,2,0,0,0,0|2,0,0]=4 17339 B13R1.28 O=CCCCCSc1ccncc1 62a_100000139335_100000728582 [0,2,0,0,0,0|2,0,0]=4 17340 B13R1.28 O=CCCCCSc1ccncc1 62a_100000728582_100000139335 [0,2,0,0,0,0|2,0,0]=4 17341 B13R1.28 O=CCCCNCc1ccccc1 2230a_100015324214_200011292268 [0,2,0,0,0,0|1,0,0]=3 17342 B13R1.28 O=CCCCOCc1ccccc1 7a_100000210790_200011292268 [0,2,0,0,0,0|1,0,0]=3 17343 B13R1.28 O=CCCCSCc1ccccc1 62a_100000211182_200011292268 [0,2,0,0,0,0|1,0,0]=3 17344 B13R1.28 O=CCCCSCc1ccccc1 62a_200011292268_100015291786 [0,2,0,0,0,0|1,0,0]=3 17345 B13R1.28 O=CCCCSCc1ccccn1 62a_100000721315_200011292268 [0,2,0,0,0,0|2,0,0]=4 17346 B13R1.28 O=CCCCSCc1ccccn1 62a_200011292268_100000721315 [0,2,0,0,0,0|2,0,0]=4 17347 B13R1.28 O=CCCCSCc1cccnc1 62a_100000741622_200011292268 [0,2,0,0,0,0|2,0,0]=4 17348 B13R1.28 O=CCCCSCc1cccnc1 62a_200011292268_100000741622 [0,2,0,0,0,0|2,0,0]=4 17349 B13R1.28 O=CCCCSCc1ccncc1 62a_100015193705_200011292268 [0,2,0,0,0,0|2,0,0]=4 17350 B13R1.28 O=CCCCSCc1ccncc1 62a_200011292268_100015193705 [0,2,0,0,0,0|2,0,0]=4 17351 B13R1.28 O=CCNCCCc1ccccc1 2230a_100000211184_200015260668 [0,2,0,0,0,0|1,0,0]=3 17352 B13R1.28 O=CCNCCCc1ccccc1 34a_100000211184_200009817547 [0,2,0,0,0,0|1,0,0]=3 17353 B13R1.28 O=CCNCCCc1cccnc1 2230a_100011532358_200015260668 [0,2,0,0,0,0|2,0,0]=4 17354 B13R1.28 O=CCNCCCc1cccnc1 34a_100011532358_200009817547 [0,2,0,0,0,0|2,0,0]=4 17355 B13R1.28 O=CCNCCCc1ccncc1 2230a_100011275580_200015260668 [0,2,0,0,0,0|2,0,0]=4 17356 B13R1.28 O=CCNCCOc1ccccc1 2230a_100000174943_200015260668 [0,2,0,0,0,0|1,0,1]=4 17357 B13R1.28 O=CCNCCOc1ccccc1 34a_100000174943_200009817547 [0,2,0,0,0,0|1,0,1]=4 17358 B13R1.28 O=CCNCCSc1ccccc1 2230a_100000189519_200015260668 [0,2,0,0,0,0|1,0,1]=4 17359 B13R1.28 O=CCOCCCc1ccccc1 34a_100000210828_200009817547 [0,2,0,0,0,0|1,0,0]=3 17360 B13R1.28 O=CCOCCCc1ccccc1 7a_100000210828_200015260668 [0,2,0,0,0,0|1,0,0]=3 17361 B13R1.28 O=CCOCCCc1ccccn1 34a_100011215068_200009817547 [0,2,0,0,0,0|2,0,0]=4 17362 B13R1.28 O=CCOCCCc1cccnc1 34a_100000211284_200009817547 [0,2,0,0,0,0|2,0,0]=4 17363 B13R1.28 O=CCOCCCc1ccncc1 34a_100000210659_200009817547 [0,2,0,0,0,0|2,0,0]=4 17364 B13R1.28 O=CCOCCNc1ccccc1 34a_100000211345_200009817547 [0,2,0,0,0,0|1,0,1]=4 17365 B13R1.28 O=CCOCCOc1ccccc1 34a_100000210260_200009817547 [0,2,0,0,0,0|1,0,1]=4 17366 B13R1.28 O=CCOCCOc1ccccc1 7a_100000210260_200015260668 [0,2,0,0,0,0|1,0,1]=4 17367 B13R1.28 O=CCOCCSc1ccccc1 7a_100000230494_200015260668 [0,2,0,0,0,0|1,0,1]=4 17368 B13R1.28 O=CCSCCCc1ccccc1 62a_100000211621_200015260668 [0,2,0,0,0,0|1,0,0]=3 17369 B13R1.28 O=CCSCCCc1ccccc1 62a_200015260668_100000211621 [0,2,0,0,0,0|1,0,0]=3 17370 B13R1.28 O=CCSCCOc1ccccc1 62a_100000184471_200015260668 [0,2,0,0,0,0|1,0,1]=4 17371 B13R1.28 O=CCSCCOc1ccccc1 62a_200015260668_100000184471 [0,2,0,0,0,0|1,0,1]=4 17372 B13R1.28 O=CCSCCSc1ccccc1 62a_100000246102_200015260668 [0,2,0,0,0,0|1,0,1]=4 17373 B13R1.28 O=CCSCCSc1ccccc1 62a_200015260668_100000246102 [0,2,0,0,0,0|1,0,1]=4 17374 B13R1.28 O=CCSCOCc1ccccc1 62a_100000763385_200015260668 [0,2,0,0,0,0|1,0,1]=4 17375 B13R1.28 O=CCSCOCc1ccccc1 62a_200015260668_100000763385 [0,2,0,0,0,0|1,0,1]=4 17376 B13R1.28 O=CCSCSCc1ccccc1 62a_200011217039_200015260668 [0,2,0,0,0,0|1,0,1]=4 17377 B13R1.28 O=CCSCSCc1ccccc1 62a_200015260668_200011217039 [0,2,0,0,0,0|1,0,1]=4 17378 B13R1.28 OCC#CCNCc1ccccc1 2230a_100015324214_200000047223 [0,2,0,0,0,0|1,0,1]=4 17379 B13R1.28 OCC#CCNCc1ccccc1 34a_100015324214_200000047223 [0,2,0,0,0,0|1,0,1]=4 17380 B13R1.28 OCC#CCOCc1ccccc1 34a_100000210790_200000047223 [0,2,0,0,0,0|1,0,1]=4 17381 B13R1.28 OCC#CCOCc1ccccc1 7a_100000210790_200000047223 [0,2,0,0,0,0|1,0,1]=4 17382 B13R1.28 OCC#CCSCc1ccccc1 62a_100000211182_200000047223 [0,2,0,0,0,0|1,0,1]=4 17383 B13R1.28 OCC#CCSCc1ccccc1 62a_200000047223_100015291786 [0,2,0,0,0,0|1,0,1]=4 17384 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [0,2,0,0,0,0|1,0,0]=3 17385 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [0,2,0,0,0,0|1,0,0]=3 17386 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [0,2,0,0,0,0|1,0,0]=3 17387 B13R1.28 OCCCCCOc1cccnc1 34a_100000210849_100000746330 [0,2,0,0,0,0|2,0,0]=4 17388 B13R1.28 OCCCCCOc1cccnc1 7a_100000210849_100000746330 [0,2,0,0,0,0|2,0,0]=4 17389 B13R1.28 OCCCCCOc1ccncc1 34a_100000212176_100000746330 [0,2,0,0,0,0|2,0,0]=4 17390 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [0,2,0,0,0,0|1,0,0]=3 17391 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [0,2,0,0,0,0|1,0,0]=3 17392 B13R1.28 OCCCCCSc1ccccn1 62a_100000746330_100011216584 [0,2,0,0,0,0|2,0,0]=4 17393 B13R1.28 OCCCCCSc1ccccn1 62a_100011216584_100000746330 [0,2,0,0,0,0|2,0,0]=4 17394 B13R1.28 OCCCCCSc1cccnc1 62a_100000210063_100000746330 [0,2,0,0,0,0|2,0,0]=4 17395 B13R1.28 OCCCCCSc1cccnc1 62a_100000746330_100000210063 [0,2,0,0,0,0|2,0,0]=4 17396 B13R1.28 OCCCCCSc1ccncc1 62a_100000728582_100000746330 [0,2,0,0,0,0|2,0,0]=4 17397 B13R1.28 OCCCCCSc1ccncc1 62a_100000746330_100000728582 [0,2,0,0,0,0|2,0,0]=4 17398 B13R1.28 OCCCCNCc1ccccc1 207a_100000750430_100015611070 [0,2,0,0,0,0|1,0,0]=3 17399 B13R1.28 OCCCCNCc1ccccc1 2230a_100000750430_100015291786 [0,2,0,0,0,0|1,0,0]=3 17400 B13R1.28 OCCCCNCc1ccccc1 2230a_100015324214_100000210776 [0,2,0,0,0,0|1,0,0]=3 17401 B13R1.28 OCCCCNCc1ccccc1 270004a_100000750430_100015611070 [0,2,0,0,0,0|1,0,0]=3 17402 B13R1.28 OCCCCNCc1ccccc1 34a_100000750430_100015291786 [0,2,0,0,0,0|1,0,0]=3 17403 B13R1.28 OCCCCNCc1ccccc1 34a_100015324214_100011216708 [0,2,0,0,0,0|1,0,0]=3 17404 B13R1.28 OCCCCNCc1ccccn1 207a_100000750430_100000209966 [0,2,0,0,0,0|2,0,0]=4 17405 B13R1.28 OCCCCNCc1ccccn1 2230a_100000750430_100000721315 [0,2,0,0,0,0|2,0,0]=4 17406 B13R1.28 OCCCCNCc1ccccn1 270004a_100000750430_100000209966 [0,2,0,0,0,0|2,0,0]=4 17407 B13R1.28 OCCCCNCc1ccccn1 34a_100000750430_100000721315 [0,2,0,0,0,0|2,0,0]=4 17408 B13R1.28 OCCCCNCc1cccnc1 207a_100000750430_100000209961 [0,2,0,0,0,0|2,0,0]=4 17409 B13R1.28 OCCCCNCc1cccnc1 2230a_100000750430_100000741622 [0,2,0,0,0,0|2,0,0]=4 17410 B13R1.28 OCCCCNCc1cccnc1 270004a_100000750430_100000209961 [0,2,0,0,0,0|2,0,0]=4 17411 B13R1.28 OCCCCNCc1cccnc1 34a_100000750430_100000733263 [0,2,0,0,0,0|2,0,0]=4 17412 B13R1.28 OCCCCNCc1ccncc1 207a_100000750430_100000186114 [0,2,0,0,0,0|2,0,0]=4 17413 B13R1.28 OCCCCNCc1ccncc1 2230a_100000750430_100015193705 [0,2,0,0,0,0|2,0,0]=4 17414 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [0,2,0,0,0,0|1,0,0]=3 17415 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [0,2,0,0,0,0|1,0,0]=3 17416 B13R1.28 OCCCCSCc1ccccc1 62a_100000210776_100015291786 [0,2,0,0,0,0|1,0,0]=3 17417 B13R1.28 OCCCCSCc1ccccc1 62a_100000211182_100000210776 [0,2,0,0,0,0|1,0,0]=3 17418 B13R1.28 OCCCCSCc1ccccn1 62a_100000210776_100000721315 [0,2,0,0,0,0|2,0,0]=4 17419 B13R1.28 OCCCCSCc1ccccn1 62a_100000721315_100000210776 [0,2,0,0,0,0|2,0,0]=4 17420 B13R1.28 OCCCCSCc1cccnc1 62a_100000210776_100000741622 [0,2,0,0,0,0|2,0,0]=4 17421 B13R1.28 OCCCCSCc1cccnc1 62a_100000741622_100000210776 [0,2,0,0,0,0|2,0,0]=4 17422 B13R1.28 OCCCCSCc1ccncc1 62a_100000210776_100015193705 [0,2,0,0,0,0|2,0,0]=4 17423 B13R1.28 OCCCCSCc1ccncc1 62a_100015193705_100000210776 [0,2,0,0,0,0|2,0,0]=4 17424 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [0,2,0,0,0,0|1,0,0]=3 17425 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [0,2,0,0,0,0|1,0,0]=3 17426 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [0,2,0,0,0,0|2,0,0]=4 17427 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [0,2,0,0,0,0|1,0,0]=3 17428 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [0,2,0,0,0,0|1,0,0]=3 17429 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [0,2,0,0,0,0|2,0,0]=4 17430 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [0,2,0,0,0,0|2,0,0]=4 17431 B13R1.28 OCCCOCCc1ccncc1 34a_100011216225_100000230001 [0,2,0,0,0,0|2,0,0]=4 17432 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [0,2,0,0,0,0|1,0,0]=3 17433 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [0,2,0,0,0,0|1,0,0]=3 17434 B13R1.28 OCCCSCCc1ccccn1 62a_100011215043_100015183660 [0,2,0,0,0,0|2,0,0]=4 17435 B13R1.28 OCCCSCCc1ccccn1 62a_100015183660_100011215043 [0,2,0,0,0,0|2,0,0]=4 17436 B13R1.28 OCCCSCCc1cccnc1 62a_100011215043_200011713674 [0,2,0,0,0,0|2,0,0]=4 17437 B13R1.28 OCCCSCCc1cccnc1 62a_200011713674_100011215043 [0,2,0,0,0,0|2,0,0]=4 17438 B13R1.28 OCCCSCCc1ccncc1 62a_100000723409_100011215043 [0,2,0,0,0,0|2,0,0]=4 17439 B13R1.28 OCCCSCCc1ccncc1 62a_100011215043_100000723409 [0,2,0,0,0,0|2,0,0]=4 17440 B13R1.28 OCCCSCSc1ccccc1 62a_100011215043_100011218342 [0,2,0,0,0,0|1,0,0]=3 17441 B13R1.28 OCCCSCSc1ccccc1 62a_100011218342_100011215043 [0,2,0,0,0,0|1,0,0]=3 17442 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100016997473_100016265936 [0,2,0,0,0,0|1,0,1]=4 17443 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211926 [0,2,0,0,0,0|1,0,1]=4 17444 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100016990907_100016265936 [0,2,0,0,0,0|1,0,1]=4 17445 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100020603302_100000211926 [0,2,0,0,0,0|1,0,1]=4 17446 B13R1.28 OCCNCC#Cc1ccccc1 2230a_100016997473_100011352542 [0,2,0,0,0,0|1,0,1]=4 17447 B13R1.28 OCCNCC#Cc1ccccc1 34a_100000735379_100000211926 [0,2,0,0,0,0|1,0,1]=4 17448 B13R1.28 OCCNCC#Cc1ccccc1 34a_100016990907_100011352542 [0,2,0,0,0,0|1,0,1]=4 17449 B13R1.28 OCCNCC=Cc1ccccc1 270004a_100000210304_100000210105 [0,2,0,0,0,0|1,0,1]=4 17450 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [0,2,0,0,0,0|1,0,0]=3 17451 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [0,2,0,0,0,0|1,0,0]=3 17452 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [0,2,0,0,0,0|1,0,0]=3 17453 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [0,2,0,0,0,0|1,0,0]=3 17454 B13R1.28 OCCNCCCc1cccnc1 2230a_100011532358_100000211926 [0,2,0,0,0,0|2,0,0]=4 17455 B13R1.28 OCCNCCCc1cccnc1 34a_100011532358_100000211926 [0,2,0,0,0,0|2,0,0]=4 17456 B13R1.28 OCCNCCCc1ccncc1 2230a_100011275580_100000211926 [0,2,0,0,0,0|2,0,0]=4 17457 B13R1.28 OCCNCCOc1ccccc1 2230a_100000174943_100000211926 [0,2,0,0,0,0|1,0,0]=3 17458 B13R1.28 OCCNCCOc1ccccc1 2230a_100016997473_100000184471 [0,2,0,0,0,0|1,0,0]=3 17459 B13R1.28 OCCNCCOc1ccccc1 270004a_100000210304_100000758736 [0,2,0,0,0,0|1,0,0]=3 17460 B13R1.28 OCCNCCOc1ccccc1 34a_100000174943_100000211926 [0,2,0,0,0,0|1,0,0]=3 17461 B13R1.28 OCCNCCOc1ccccc1 34a_100016990907_100000184471 [0,2,0,0,0,0|1,0,0]=3 17462 B13R1.28 OCCNCCOc1ccccn1 2230a_106741647558_100000211926 [0,2,0,0,0,0|2,0,0]=4 17463 B13R1.28 OCCNCCOc1cccnc1 2230a_100000754688_100000211926 [0,2,0,0,0,0|2,0,0]=4 17464 B13R1.28 OCCNCCSc1ccccc1 2230a_100000189519_100000211926 [0,2,0,0,0,0|1,0,0]=3 17465 B13R1.28 OCCNCCSc1ccccc1 2230a_100016997473_100000246102 [0,2,0,0,0,0|1,0,0]=3 17466 B13R1.28 OCCNCCSc1ccccc1 34a_100016990907_100000246102 [0,2,0,0,0,0|1,0,0]=3 17467 B13R1.28 OCCNCOCc1ccccc1 2230a_100016997473_100000763385 [0,2,0,0,0,0|1,0,0]=3 17468 B13R1.28 OCCNCOCc1ccccc1 34a_100016990907_100000763385 [0,2,0,0,0,0|1,0,0]=3 17469 B13R1.28 OCCNCSCc1ccccc1 2230a_100016997473_200011217039 [0,2,0,0,0,0|1,0,0]=3 17470 B13R1.28 OCCNCSCc1ccccc1 34a_100016990907_200011217039 [0,2,0,0,0,0|1,0,0]=3 17471 B13R1.28 OCCNN=CCc1ccccc1 4a_100000210001_100000209964 [0,2,0,0,0,0|1,0,1]=4 17472 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [0,2,0,0,0,0|1,0,1]=4 17473 B13R1.28 OCCOCC#Cc1ccccc1 34a_100011217464_100000211926 [0,2,0,0,0,0|1,0,1]=4 17474 B13R1.28 OCCOCC#Cc1ccccc1 7a_100011217464_100000211926 [0,2,0,0,0,0|1,0,1]=4 17475 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,2,0,0,0,0|1,0,0]=3 17476 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,2,0,0,0,0|1,0,0]=3 17477 B13R1.28 OCCOCCCc1ccccn1 34a_100011215068_100000211926 [0,2,0,0,0,0|2,0,0]=4 17478 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [0,2,0,0,0,0|2,0,0]=4 17479 B13R1.28 OCCOCCCc1ccncc1 34a_100000210659_100000211926 [0,2,0,0,0,0|2,0,0]=4 17480 B13R1.28 OCCOCCNc1ccccc1 34a_100000106764_100000692535 [0,2,0,0,0,0|1,0,0]=3 17481 B13R1.28 OCCOCCNc1ccccc1 34a_100000211345_100000211926 [0,2,0,0,0,0|1,0,0]=3 17482 B13R1.28 OCCOCCNc1ccncc1 34a_200011243140_100000211926 [0,2,0,0,0,0|2,0,0]=4 17483 B13R1.28 OCCOCCOc1ccccc1 34a_100000210260_100000211926 [0,2,0,0,0,0|1,0,0]=3 17484 B13R1.28 OCCOCCOc1ccccc1 34a_100000210340_100000692535 [0,2,0,0,0,0|1,0,0]=3 17485 B13R1.28 OCCOCCOc1ccccc1 7a_100000210260_100000211926 [0,2,0,0,0,0|1,0,0]=3 17486 B13R1.28 OCCOCCOc1ccccc1 7a_100000210340_100011215305 [0,2,0,0,0,0|1,0,0]=3 17487 B13R1.28 OCCOCCOc1cccnc1 34a_100000210849_100000692535 [0,2,0,0,0,0|2,0,0]=4 17488 B13R1.28 OCCOCCOc1cccnc1 7a_100000210849_100011215305 [0,2,0,0,0,0|2,0,0]=4 17489 B13R1.28 OCCOCCOc1ccncc1 34a_100000212176_100000692535 [0,2,0,0,0,0|2,0,0]=4 17490 B13R1.28 OCCOCCSc1ccccc1 62a_100000719477_100011215305 [0,2,0,0,0,0|1,0,0]=3 17491 B13R1.28 OCCOCCSc1ccccc1 62a_100011215305_100000041952 [0,2,0,0,0,0|1,0,0]=3 17492 B13R1.28 OCCOCCSc1ccccc1 7a_100000230494_100000211926 [0,2,0,0,0,0|1,0,0]=3 17493 B13R1.28 OCCOCCSc1ccccn1 62a_100011215305_100011216584 [0,2,0,0,0,0|2,0,0]=4 17494 B13R1.28 OCCOCCSc1ccccn1 62a_100011216584_100011215305 [0,2,0,0,0,0|2,0,0]=4 17495 B13R1.28 OCCOCCSc1ccccn1 7a_100000156319_100000211926 [0,2,0,0,0,0|2,0,0]=4 17496 B13R1.28 OCCOCCSc1cccnc1 62a_100000210063_100011215305 [0,2,0,0,0,0|2,0,0]=4 17497 B13R1.28 OCCOCCSc1cccnc1 62a_100011215305_100000210063 [0,2,0,0,0,0|2,0,0]=4 17498 B13R1.28 OCCOCCSc1ccncc1 62a_100000728582_100011215305 [0,2,0,0,0,0|2,0,0]=4 17499 B13R1.28 OCCOCCSc1ccncc1 62a_100011215305_100000728582 [0,2,0,0,0,0|2,0,0]=4 17500 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100000211926_100016265936 [0,2,0,0,0,0|1,0,1]=4 17501 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100016265936_100000211926 [0,2,0,0,0,0|1,0,1]=4 17502 B13R1.28 OCCSCC#Cc1ccccc1 62a_100000211926_100011352542 [0,2,0,0,0,0|1,0,1]=4 17503 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [0,2,0,0,0,0|1,0,0]=3 17504 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [0,2,0,0,0,0|1,0,0]=3 17505 B13R1.28 OCCSCCOc1ccccc1 62a_100000184471_100000211926 [0,2,0,0,0,0|1,0,0]=3 17506 B13R1.28 OCCSCCOc1ccccc1 62a_100000211926_100000184471 [0,2,0,0,0,0|1,0,0]=3 17507 B13R1.28 OCCSCCSc1ccccc1 62a_100000211926_100000246102 [0,2,0,0,0,0|1,0,0]=3 17508 B13R1.28 OCCSCCSc1ccccc1 62a_100000246102_100000211926 [0,2,0,0,0,0|1,0,0]=3 17509 B13R1.28 OCCSCOCc1ccccc1 62a_100000211926_100000763385 [0,2,0,0,0,0|1,0,0]=3 17510 B13R1.28 OCCSCOCc1ccccc1 62a_100000763385_100000211926 [0,2,0,0,0,0|1,0,0]=3 17511 B13R1.28 OCCSCSCc1ccccc1 62a_100000211926_200011217039 [0,2,0,0,0,0|1,0,0]=3 17512 B13R1.28 OCCSCSCc1ccccc1 62a_200011217039_100000211926 [0,2,0,0,0,0|1,0,0]=3 17513 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,2,0,0,0,0|0,0,0]=2 17514 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,2,0,0,0,0|0,0,0]=2 17515 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [0,2,0,0,0,0|0,0,0]=2 17516 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [0,2,0,0,0,0|0,0,0]=2 17517 B13R1.28 [13CH3]OCCCC#Cc1ccccc1 34a_100011217234_200025704644 [0,2,0,0,0,0|1,0,1]=4 17518 B13R1.28 [13CH3]OCCCC#Cc1ccccc1 7a_100011217234_200025704644 [0,2,0,0,0,0|1,0,1]=4 17519 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,2,0,0,0,0|1,0,0]=3 17520 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,2,0,0,0,0|1,0,0]=3 17521 B13R1.28 [13CH3]OCCCCOc1ccccc1 34a_100000752354_200025704644 [0,2,0,0,0,0|1,0,0]=3 17522 B13R1.28 [13CH3]OCCCCOc1ccccc1 7a_100000752354_200025704644 [0,2,0,0,0,0|1,0,0]=3 17523 B13R1.28 [13CH3]OCCCNCc1ccccc1 34a_100000185501_200025704644 [0,2,0,0,0,0|1,0,0]=3 17524 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [0,2,0,0,0,0|1,0,0]=3 17525 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [0,2,0,0,0,0|1,0,0]=3 17526 B13R1.28 [13CH3]OCCSCCc1ccccn1 34a_100011362645_200025704644 [0,2,0,0,0,0|2,0,0]=4 17527 B13R1.28 [13CH3]OCCSCCc1ccccn1 7a_100011362645_200025704644 [0,2,0,0,0,0|2,0,0]=4 17528 B13R1.28 [13CH3]OCCSCCc1ccncc1 34a_200011193335_200025704644 [0,2,0,0,0,0|2,0,0]=4 17529 B13R1.28 [13CH3]OCCSCCc1ccncc1 7a_200011193335_200025704644 [0,2,0,0,0,0|2,0,0]=4 17530 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,2,0,0,0,0|1,0,0]=3 17531 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,2,0,0,0,0|1,0,0]=3 17532 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_100011215240_200025704644 [0,2,0,0,0,0|1,0,0]=3 17533 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_200025704644_100011215240 [0,2,0,0,0,0|1,0,0]=3 17534 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [0,2,0,0,0,0|1,0,0]=3 17535 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [0,2,0,0,0,0|1,0,0]=3 17536 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100000185753_100000184674 [0,2,0,0,0,0|1,0,1]=4 17537 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100011220946_100000765856 [0,2,0,0,0,0|1,0,1]=4 17538 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,2,0,0,0,0|1,0,1]=4 17539 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,2,0,0,0,0|1,0,1]=4 17540 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000207497_100000038162 [0,2,0,0,0,0|1,0,1]=4 17541 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000225692_100000765856 [0,2,0,0,0,0|1,0,1]=4 17542 B13R1.42 C#CCN(C)CCc1ccccc1 34a_100000225692_100000765856 [0,2,0,0,0,0|1,0,1]=4 17543 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [0,2,0,0,0,0|1,0,1]=4 17544 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [0,2,0,0,0,0|1,0,1]=4 17545 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [0,2,0,0,0,0|1,0,1]=4 17546 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [0,2,0,0,0,0|1,0,1]=4 17547 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [0,2,0,0,0,0|1,0,1]=4 17548 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [0,2,0,0,0,0|1,0,1]=4 17549 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,2,0,0,0,0|1,0,1]=4 17550 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,2,0,0,0,0|1,0,1]=4 17551 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,2,0,0,0,0|0,0,2]=4 17552 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,2,0,0,0,0|0,0,2]=4 17553 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,2,0,0,0,0|0,0,2]=4 17554 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,2,0,0,0,0|0,0,2]=4 17555 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,2,0,0,0,0|1,0,0]=3 17556 B13R1.42 CC(CCBr)OCc1ccccn1 34a_100012276601_100000721315 [0,2,0,0,0,0|2,0,0]=4 17557 B13R1.42 CC(CCBr)OCc1cccnc1 34a_100012276601_100000733263 [0,2,0,0,0,0|2,0,0]=4 17558 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,2,0,0,0,0|1,0,0]=3 17559 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,2,0,0,0,0|1,0,0]=3 17560 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,2,0,0,0,0|1,0,0]=3 17561 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,2,0,0,0,0|1,0,0]=3 17562 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,2,0,0,0,0|1,0,0]=3 17563 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,2,0,0,0,0|1,0,0]=3 17564 B13R1.42 CC(CCO)SCc1ccccn1 62a_100000721315_100009893172 [0,2,0,0,0,0|2,0,0]=4 17565 B13R1.42 CC(CCO)SCc1ccccn1 62a_100009893172_100000721315 [0,2,0,0,0,0|2,0,0]=4 17566 B13R1.42 CC(CCO)SCc1cccnc1 62a_100000741622_100009893172 [0,2,0,0,0,0|2,0,0]=4 17567 B13R1.42 CC(CCO)SCc1cccnc1 62a_100009893172_100000741622 [0,2,0,0,0,0|2,0,0]=4 17568 B13R1.42 CC(CCO)SCc1ccncc1 62a_100009893172_100015193705 [0,2,0,0,0,0|2,0,0]=4 17569 B13R1.42 CC(CCO)SCc1ccncc1 62a_100015193705_100009893172 [0,2,0,0,0,0|2,0,0]=4 17570 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,2,0,0,0,0|1,0,0]=3 17571 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [0,2,0,0,0,0|2,0,0]=4 17572 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,2,0,0,0,0|2,0,0]=4 17573 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,2,0,0,0,0|2,0,0]=4 17574 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,2,0,0,0,0|1,0,0]=3 17575 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,2,0,0,0,0|1,0,0]=3 17576 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,2,0,0,0,0|2,0,0]=4 17577 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,2,0,0,0,0|2,0,0]=4 17578 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,2,0,0,0,0|2,0,0]=4 17579 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,2,0,0,0,0|2,0,0]=4 17580 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,2,0,0,0,0|2,0,0]=4 17581 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,2,0,0,0,0|2,0,0]=4 17582 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,2,0,0,0,0|1,0,1]=4 17583 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,2,0,0,0,0|1,0,1]=4 17584 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,2,0,0,0,0|1,0,1]=4 17585 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,2,0,0,0,0|1,0,1]=4 17586 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,2,0,0,0,0|1,0,1]=4 17587 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 17588 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 17589 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 17590 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 17591 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,2,0,0,0,0|1,0,0]=3 17592 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,2,0,0,0,0|1,0,0]=3 17593 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,2,0,0,0,0|1,0,0]=3 17594 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [0,2,0,0,0,0|2,0,0]=4 17595 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [0,2,0,0,0,0|2,0,0]=4 17596 B13R1.42 CCCC(C)COc1ccncc1 34a_100000212176_100011216630 [0,2,0,0,0,0|2,0,0]=4 17597 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,2,0,0,0,0|1,0,0]=3 17598 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,2,0,0,0,0|1,0,0]=3 17599 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216584_100011216630 [0,2,0,0,0,0|2,0,0]=4 17600 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216630_100011216584 [0,2,0,0,0,0|2,0,0]=4 17601 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [0,2,0,0,0,0|2,0,0]=4 17602 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [0,2,0,0,0,0|2,0,0]=4 17603 B13R1.42 CCCC(C)CSc1ccncc1 62a_100000728582_100011216630 [0,2,0,0,0,0|2,0,0]=4 17604 B13R1.42 CCCC(C)CSc1ccncc1 62a_100011216630_100000728582 [0,2,0,0,0,0|2,0,0]=4 17605 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,2,0,0,0,0|1,0,0]=3 17606 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,2,0,0,0,0|1,0,0]=3 17607 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,2,0,0,0,0|1,0,0]=3 17608 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,2,0,0,0,0|1,0,0]=3 17609 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,2,0,0,0,0|1,0,0]=3 17610 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,2,0,0,0,0|1,0,0]=3 17611 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [0,2,0,0,0,0|2,0,0]=4 17612 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [0,2,0,0,0,0|2,0,0]=4 17613 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [0,2,0,0,0,0|2,0,0]=4 17614 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [0,2,0,0,0,0|2,0,0]=4 17615 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [0,2,0,0,0,0|2,0,0]=4 17616 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [0,2,0,0,0,0|2,0,0]=4 17617 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [0,2,0,0,0,0|2,0,0]=4 17618 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [0,2,0,0,0,0|2,0,0]=4 17619 B13R1.42 CCCC(C)NCc1ccncc1 207a_100000741246_100000186114 [0,2,0,0,0,0|2,0,0]=4 17620 B13R1.42 CCCC(C)NCc1ccncc1 2230a_100000741246_100015193705 [0,2,0,0,0,0|2,0,0]=4 17621 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,2,0,0,0,0|1,0,0]=3 17622 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,2,0,0,0,0|1,0,0]=3 17623 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,2,0,0,0,0|1,0,0]=3 17624 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,2,0,0,0,0|1,0,0]=3 17625 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [0,2,0,0,0,0|2,0,0]=4 17626 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [0,2,0,0,0,0|2,0,0]=4 17627 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,2,0,0,0,0|2,0,0]=4 17628 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,2,0,0,0,0|2,0,0]=4 17629 B13R1.42 CCCC(C)OCc1ccncc1 7a_100000764384_100015193705 [0,2,0,0,0,0|2,0,0]=4 17630 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,2,0,0,0,0|1,0,0]=3 17631 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,2,0,0,0,0|1,0,0]=3 17632 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000721315_100000766640 [0,2,0,0,0,0|2,0,0]=4 17633 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000766640_100000721315 [0,2,0,0,0,0|2,0,0]=4 17634 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [0,2,0,0,0,0|2,0,0]=4 17635 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [0,2,0,0,0,0|2,0,0]=4 17636 B13R1.42 CCCC(C)SCc1ccncc1 62a_100000766640_100015193705 [0,2,0,0,0,0|2,0,0]=4 17637 B13R1.42 CCCC(C)SCc1ccncc1 62a_100015193705_100000766640 [0,2,0,0,0,0|2,0,0]=4 17638 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,2,0,0,0,0|1,0,0]=3 17639 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,2,0,0,0,0|1,0,0]=3 17640 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,2,0,0,0,0|1,0,0]=3 17641 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,2,0,0,0,0|1,0,0]=3 17642 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000176852_200000210301 [0,2,0,0,0,0|2,0,0]=4 17643 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000737206_100000210303 [0,2,0,0,0,0|2,0,0]=4 17644 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000747261_100015183660 [0,2,0,0,0,0|2,0,0]=4 17645 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000176852_200000210301 [0,2,0,0,0,0|2,0,0]=4 17646 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000737206_100000210303 [0,2,0,0,0,0|2,0,0]=4 17647 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000747261_100015183660 [0,2,0,0,0,0|2,0,0]=4 17648 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [0,2,0,0,0,0|2,0,0]=4 17649 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [0,2,0,0,0,0|2,0,0]=4 17650 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [0,2,0,0,0,0|2,0,0]=4 17651 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [0,2,0,0,0,0|2,0,0]=4 17652 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000742850_100000210303 [0,2,0,0,0,0|2,0,0]=4 17653 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000747261_100000723409 [0,2,0,0,0,0|2,0,0]=4 17654 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000742850_100000210303 [0,2,0,0,0,0|2,0,0]=4 17655 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000747261_100000723409 [0,2,0,0,0,0|2,0,0]=4 17656 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [0,2,0,0,0,0|2,0,0]=4 17657 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [0,2,0,0,0,0|2,0,0]=4 17658 B13R1.42 CCCN([13CH3])CCc1ccccn1 2230a_100000176852_200025704644 [0,2,0,0,0,0|2,0,0]=4 17659 B13R1.42 CCCN([13CH3])CCc1ccccn1 269982a_100000176852_200025704644 [0,2,0,0,0,0|2,0,0]=4 17660 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,2,0,0,0,0|1,0,1]=4 17661 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,2,0,0,0,0|1,0,1]=4 17662 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,2,0,0,0,0|1,0,1]=4 17663 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,2,0,0,0,0|1,0,0]=3 17664 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,2,0,0,0,0|1,0,0]=3 17665 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,2,0,0,0,0|1,0,0]=3 17666 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,2,0,0,0,0|2,0,0]=4 17667 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,2,0,0,0,0|2,0,0]=4 17668 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,2,0,0,0,0|2,0,0]=4 17669 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,2,0,0,0,0|2,0,0]=4 17670 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,2,0,0,0,0|2,0,0]=4 17671 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,2,0,0,0,0|2,0,0]=4 17672 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,2,0,0,0,0|1,0,0]=3 17673 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,2,0,0,0,0|1,0,0]=3 17674 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000207497_100011215382 [0,2,0,0,0,0|0,0,2]=4 17675 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000748184_100000765856 [0,2,0,0,0,0|0,0,2]=4 17676 B13R1.42 CN(CC#N)CCc1ccccc1 269982a_100000207497_100011214920 [0,2,0,0,0,0|0,0,2]=4 17677 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [0,2,0,0,0,0|1,0,1]=4 17678 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [0,2,0,0,0,0|1,0,1]=4 17679 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [0,2,0,0,0,0|1,0,0]=3 17680 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [0,2,0,0,0,0|1,0,0]=3 17681 B13R1.42 CN(CCF)CCc1ccccn1 2230a_100000737206_100011217306 [0,2,0,0,0,0|2,0,0]=4 17682 B13R1.42 CN(CCF)CCc1ccccn1 269982a_100000737206_100011217306 [0,2,0,0,0,0|2,0,0]=4 17683 B13R1.42 CN(CCF)CCc1cccnc1 2230a_100000763209_100011217306 [0,2,0,0,0,0|2,0,0]=4 17684 B13R1.42 CN(CCF)CCc1cccnc1 269982a_100000763209_100011217306 [0,2,0,0,0,0|2,0,0]=4 17685 B13R1.42 CN(CCF)CCc1ccncc1 2230a_100000742850_100011217306 [0,2,0,0,0,0|2,0,0]=4 17686 B13R1.42 CN(CCF)CCc1ccncc1 269982a_100000742850_100011217306 [0,2,0,0,0,0|2,0,0]=4 17687 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,2,0,0,0,0|1,0,0]=3 17688 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,2,0,0,0,0|1,0,0]=3 17689 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,2,0,0,0,0|1,0,0]=3 17690 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,2,0,0,0,0|1,0,0]=3 17691 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000210263_100015183660 [0,2,0,0,0,0|2,0,0]=4 17692 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000737206_100000211926 [0,2,0,0,0,0|2,0,0]=4 17693 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000210263_100015183660 [0,2,0,0,0,0|2,0,0]=4 17694 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000737206_100000211926 [0,2,0,0,0,0|2,0,0]=4 17695 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000210263_200011713674 [0,2,0,0,0,0|2,0,0]=4 17696 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000763209_100000211926 [0,2,0,0,0,0|2,0,0]=4 17697 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000210263_200011713674 [0,2,0,0,0,0|2,0,0]=4 17698 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000763209_100000211926 [0,2,0,0,0,0|2,0,0]=4 17699 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000210263_100000723409 [0,2,0,0,0,0|2,0,0]=4 17700 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000742850_100000211926 [0,2,0,0,0,0|2,0,0]=4 17701 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000210263_100000723409 [0,2,0,0,0,0|2,0,0]=4 17702 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000742850_100000211926 [0,2,0,0,0,0|2,0,0]=4 17703 B13R1.42 CN(CCO)CSc1ccccc1 2230a_100000210263_100011218342 [0,2,0,0,0,0|2,0,0]=4 17704 B13R1.42 CN(CCO)CSc1ccccc1 269982a_100000210263_100011218342 [0,2,0,0,0,0|2,0,0]=4 17705 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,2,0,0,0,0|0,0,1]=3 17706 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,2,0,0,0,0|0,0,1]=3 17707 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,2,0,0,0,0|0,0,1]=3 17708 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,2,0,0,0,0|1,0,1]=4 17709 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,2,0,0,0,0|1,0,1]=4 17710 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,2,0,0,0,0|1,0,1]=4 17711 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,2,0,0,0,0|1,0,1]=4 17712 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,2,0,0,0,0|1,0,1]=4 17713 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,2,0,0,0,0|1,0,1]=4 17714 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,2,0,0,0,0|1,0,1]=4 17715 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,2,0,0,0,0|1,0,0]=3 17716 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,2,0,0,0,0|1,0,0]=3 17717 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,2,0,0,0,0|1,0,1]=4 17718 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,2,0,0,0,0|1,0,1]=4 17719 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,2,0,0,0,0|1,0,1]=4 17720 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,2,0,0,0,0|2,0,0]=4 17721 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,2,0,0,0,0|2,0,0]=4 17722 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,2,0,0,0,0|2,0,0]=4 17723 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,2,0,0,0,0|2,0,0]=4 17724 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,2,0,0,0,0|2,0,0]=4 17725 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,2,0,0,0,0|2,0,0]=4 17726 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,2,0,0,0,0|2,0,0]=4 17727 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,2,0,0,0,0|2,0,0]=4 17728 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,2,0,0,0,0|2,0,0]=4 17729 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,2,0,0,0,0|2,0,0]=4 17730 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,2,0,0,0,0|2,0,0]=4 17731 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,2,0,0,0,0|2,0,0]=4 17732 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,2,0,0,0,0|2,0,0]=4 17733 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,2,0,0,0,0|2,0,0]=4 17734 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,2,0,0,0,0|2,0,0]=4 17735 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,2,0,0,0,0|2,0,0]=4 17736 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,2,0,0,0,0|2,0,0]=4 17737 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,2,0,0,0,0|2,0,0]=4 17738 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,2,0,0,0,0|2,0,0]=4 17739 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,2,0,0,0,0|1,0,1]=4 17740 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,2,0,0,0,0|1,0,1]=4 17741 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,2,0,0,0,0|1,0,1]=4 17742 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,2,0,0,0,0|2,0,0]=4 17743 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,2,0,0,0,0|2,0,0]=4 17744 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,2,0,0,0,0|2,0,0]=4 17745 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,2,0,0,0,0|0,0,2]=4 17746 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,2,0,0,0,0|0,0,2]=4 17747 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,2,0,0,0,0|1,0,0]=3 17748 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,2,0,0,0,0|1,0,0]=3 17749 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,2,0,0,0,0|1,0,0]=3 17750 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,2,0,0,0,0|1,0,0]=3 17751 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,2,0,0,0,0|1,0,0]=3 17752 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,2,0,0,0,0|1,0,0]=3 17753 B13R1.42 C[C@H](CCO)NCc1ccccn1 207a_100000706166_100000209966 [0,2,0,0,0,0|2,0,0]=4 17754 B13R1.42 C[C@H](CCO)NCc1ccccn1 2230a_100000706166_100000721315 [0,2,0,0,0,0|2,0,0]=4 17755 B13R1.42 C[C@H](CCO)NCc1ccccn1 270004a_100000706166_100000209966 [0,2,0,0,0,0|2,0,0]=4 17756 B13R1.42 C[C@H](CCO)NCc1ccccn1 34a_100000706166_100000721315 [0,2,0,0,0,0|2,0,0]=4 17757 B13R1.42 C[C@H](CCO)NCc1cccnc1 207a_100000706166_100000209961 [0,2,0,0,0,0|2,0,0]=4 17758 B13R1.42 C[C@H](CCO)NCc1cccnc1 2230a_100000706166_100000741622 [0,2,0,0,0,0|2,0,0]=4 17759 B13R1.42 C[C@H](CCO)NCc1cccnc1 270004a_100000706166_100000209961 [0,2,0,0,0,0|2,0,0]=4 17760 B13R1.42 C[C@H](CCO)NCc1cccnc1 34a_100000706166_100000733263 [0,2,0,0,0,0|2,0,0]=4 17761 B13R1.42 C[C@H](CCO)NCc1ccncc1 207a_100000706166_100000186114 [0,2,0,0,0,0|2,0,0]=4 17762 B13R1.42 C[C@H](CCO)NCc1ccncc1 2230a_100000706166_100015193705 [0,2,0,0,0,0|2,0,0]=4 17763 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,2,0,0,0,0|2,0,0]=4 17764 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100000185753_100011214920 [0,2,0,0,0,0|0,0,2]=4 17765 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100051588842_100000765856 [0,2,0,0,0,0|0,0,2]=4 17766 B13R1.42 N#CC[C@H](O)COc1ccccc1 7a_100000210340_100000001066 [0,2,0,0,0,0|0,0,2]=4 17767 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000001066_100000041952 [0,2,0,0,0,0|0,0,2]=4 17768 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000719477_100000001066 [0,2,0,0,0,0|0,0,2]=4 17769 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,2,0,0,0,0|1,0,0]=3 17770 B13R1.42 O=C(CCF)CCc1ccccn1 1458a_100015195070_100011217306 [0,2,0,0,0,0|2,0,0]=4 17771 B13R1.42 O=C(CCF)CCc1cccnc1 1458a_100000198484_100011217306 [0,2,0,0,0,0|2,0,0]=4 17772 B13R1.42 O=C(CCF)CCc1ccncc1 1458a_100011225043_100011217306 [0,2,0,0,0,0|2,0,0]=4 17773 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,2,0,0,0,0|1,0,1]=4 17774 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [0,2,0,0,0,0|1,0,1]=4 17775 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,2,0,0,0,0|1,0,0]=3 17776 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,2,0,0,0,0|1,0,0]=3 17777 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100011216618_100015183660 [0,2,0,0,0,0|2,0,0]=4 17778 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100015195070_100000211926 [0,2,0,0,0,0|2,0,0]=4 17779 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100000198484_100000211926 [0,2,0,0,0,0|2,0,0]=4 17780 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100011216618_200011713674 [0,2,0,0,0,0|2,0,0]=4 17781 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011216618_100000723409 [0,2,0,0,0,0|2,0,0]=4 17782 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011225043_100000211926 [0,2,0,0,0,0|2,0,0]=4 17783 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,2,0,0,0,0|1,0,1]=4 17784 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,2,0,0,0,0|1,0,1]=4 17785 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,2,0,0,0,0|1,0,1]=4 17786 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,2,0,0,0,0|1,0,1]=4 17787 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,2,0,0,0,0|1,0,0]=3 17788 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,2,0,0,0,0|1,0,0]=3 17789 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,2,0,0,0,0|1,0,1]=4 17790 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,2,0,0,0,0|1,0,1]=4 17791 B13R1.44 C#CCCC(=O)Cc1ccccc1 1458a_100000692101_100015291786 [0,2,0,0,0,0|1,0,1]=4 17792 B13R1.44 C#CCCN(C)Cc1ccccc1 2230a_100000186898_100000688953 [0,2,0,0,0,0|1,0,1]=4 17793 B13R1.44 C#CCCN(C)Cc1ccccc1 269982a_100000186898_100000730999 [0,2,0,0,0,0|1,0,1]=4 17794 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [0,2,0,0,0,0|1,0,1]=4 17795 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,2,0,0,0,0|1,0,1]=4 17796 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,2,0,0,0,0|1,0,1]=4 17797 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,2,0,0,0,0|1,0,1]=4 17798 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [0,2,0,0,0,0|1,0,1]=4 17799 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,2,0,0,0,0|1,0,1]=4 17800 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100000186898_100000754431 [0,2,0,0,0,0|1,0,1]=4 17801 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100011934112_200000210301 [0,2,0,0,0,0|1,0,1]=4 17802 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100020639649_100015291786 [0,2,0,0,0,0|1,0,1]=4 17803 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100000186898_100000754431 [0,2,0,0,0,0|1,0,1]=4 17804 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100011934112_200000210301 [0,2,0,0,0,0|1,0,1]=4 17805 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100020639649_100000211182 [0,2,0,0,0,0|1,0,1]=4 17806 B13R1.44 C=CCCN(C)Cc1ccccc1 270004a_100020639649_100015611070 [0,2,0,0,0,0|1,0,1]=4 17807 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 2230a_100011934112_200025704644 [0,2,0,0,0,0|1,0,1]=4 17808 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 269982a_100011934112_200025704644 [0,2,0,0,0,0|1,0,1]=4 17809 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,2,0,0,0,0|1,0,1]=4 17810 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,2,0,0,0,0|1,0,1]=4 17811 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,2,0,0,0,0|1,0,1]=4 17812 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [0,2,0,0,0,0|1,0,1]=4 17813 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [0,2,0,0,0,0|1,0,1]=4 17814 B13R1.44 CC(CNCF)Oc1ccccc1 34a_100000755676_100015361967 [0,2,0,0,0,0|2,0,0]=4 17815 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,2,0,0,0,0|1,0,0]=3 17816 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,2,0,0,0,0|1,0,0]=3 17817 B13R1.44 CC(COCF)Oc1ccccc1 34a_200000036796_100015361967 [0,2,0,0,0,0|2,0,0]=4 17818 B13R1.44 CC(COCF)Oc1ccccc1 7a_200000036796_100015361967 [0,2,0,0,0,0|2,0,0]=4 17819 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [0,2,0,0,0,0|2,0,0]=4 17820 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,2,0,0,0,0|1,0,0]=3 17821 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,2,0,0,0,0|1,0,0]=3 17822 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,2,0,0,0,0|0,0,2]=4 17823 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,2,0,0,0,0|1,0,1]=4 17824 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,2,0,0,0,0|1,0,1]=4 17825 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,2,0,0,0,0|1,0,0]=3 17826 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,2,0,0,0,0|1,0,0]=3 17827 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,2,0,0,0,0|1,0,0]=3 17828 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,2,0,0,0,0|0,0,0]=2 17829 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,2,0,0,0,0|1,0,0]=3 17830 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,2,0,0,0,0|1,0,0]=3 17831 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [0,2,0,0,0,0|0,0,2]=4 17832 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [0,2,0,0,0,0|0,0,2]=4 17833 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [0,2,0,0,0,0|1,0,1]=4 17834 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [0,2,0,0,0,0|1,0,1]=4 17835 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,2,0,0,0,0|1,0,0]=3 17836 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,2,0,0,0,0|1,0,0]=3 17837 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,2,0,0,0,0|1,0,0]=3 17838 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,2,0,0,0,0|1,0,0]=3 17839 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [0,2,0,0,0,0|2,0,0]=4 17840 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [0,2,0,0,0,0|2,0,0]=4 17841 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [0,2,0,0,0,0|2,0,0]=4 17842 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [0,2,0,0,0,0|2,0,0]=4 17843 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [0,2,0,0,0,0|2,0,0]=4 17844 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [0,2,0,0,0,0|2,0,0]=4 17845 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,2,0,0,0,0|1,0,1]=4 17846 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [0,2,0,0,0,0|2,0,0]=4 17847 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,2,0,0,0,0|1,0,0]=3 17848 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,2,0,0,0,0|2,0,0]=4 17849 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,2,0,0,0,0|2,0,0]=4 17850 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,2,0,0,0,0|2,0,0]=4 17851 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,2,0,0,0,0|2,0,0]=4 17852 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [0,2,0,0,0,0|2,0,0]=4 17853 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 17854 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 17855 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 17856 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 17857 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,2,0,0,0,0|1,0,0]=3 17858 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,2,0,0,0,0|1,0,0]=3 17859 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,2,0,0,0,0|1,0,0]=3 17860 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [0,2,0,0,0,0|2,0,0]=4 17861 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [0,2,0,0,0,0|2,0,0]=4 17862 B13R1.44 CCCCC(C)Oc1ccncc1 34a_100000212176_200011215066 [0,2,0,0,0,0|2,0,0]=4 17863 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,2,0,0,0,0|1,0,0]=3 17864 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,2,0,0,0,0|1,0,0]=3 17865 B13R1.44 CCCCC(C)Sc1ccccn1 62a_100011216584_200011215066 [0,2,0,0,0,0|2,0,0]=4 17866 B13R1.44 CCCCC(C)Sc1ccccn1 62a_200011215066_100011216584 [0,2,0,0,0,0|2,0,0]=4 17867 B13R1.44 CCCCC(C)Sc1cccnc1 62a_100000210063_200011215066 [0,2,0,0,0,0|2,0,0]=4 17868 B13R1.44 CCCCC(C)Sc1cccnc1 62a_200011215066_100000210063 [0,2,0,0,0,0|2,0,0]=4 17869 B13R1.44 CCCCC(C)Sc1ccncc1 62a_100000728582_200011215066 [0,2,0,0,0,0|2,0,0]=4 17870 B13R1.44 CCCCC(C)Sc1ccncc1 62a_200011215066_100000728582 [0,2,0,0,0,0|2,0,0]=4 17871 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,2,0,0,0,0|1,0,0]=3 17872 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,2,0,0,0,0|1,0,0]=3 17873 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,2,0,0,0,0|1,0,0]=3 17874 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,2,0,0,0,0|1,0,0]=3 17875 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,2,0,0,0,0|1,0,0]=3 17876 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,2,0,0,0,0|1,0,0]=3 17877 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,2,0,0,0,0|1,0,0]=3 17878 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207498_100000210211 [0,2,0,0,0,0|2,0,0]=4 17879 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207549_100000721315 [0,2,0,0,0,0|2,0,0]=4 17880 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_200000200672_200000210301 [0,2,0,0,0,0|2,0,0]=4 17881 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207498_100000210211 [0,2,0,0,0,0|2,0,0]=4 17882 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207549_100000721315 [0,2,0,0,0,0|2,0,0]=4 17883 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_200000200672_200000210301 [0,2,0,0,0,0|2,0,0]=4 17884 B13R1.44 CCCCN(C)Cc1ccccn1 270004a_100000207549_100000209966 [0,2,0,0,0,0|2,0,0]=4 17885 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000184577_100000210211 [0,2,0,0,0,0|2,0,0]=4 17886 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000207549_100000741622 [0,2,0,0,0,0|2,0,0]=4 17887 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_200000200674_200000210301 [0,2,0,0,0,0|2,0,0]=4 17888 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000184577_100000210211 [0,2,0,0,0,0|2,0,0]=4 17889 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000207549_100000733263 [0,2,0,0,0,0|2,0,0]=4 17890 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_200000200674_200000210301 [0,2,0,0,0,0|2,0,0]=4 17891 B13R1.44 CCCCN(C)Cc1cccnc1 270004a_100000207549_100000209961 [0,2,0,0,0,0|2,0,0]=4 17892 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000187231_100000210211 [0,2,0,0,0,0|2,0,0]=4 17893 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000207549_100015193705 [0,2,0,0,0,0|2,0,0]=4 17894 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_200015187765_200000210301 [0,2,0,0,0,0|2,0,0]=4 17895 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000187231_100000210211 [0,2,0,0,0,0|2,0,0]=4 17896 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000207549_100015193705 [0,2,0,0,0,0|2,0,0]=4 17897 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_200015187765_200000210301 [0,2,0,0,0,0|2,0,0]=4 17898 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,2,0,0,0,0|1,0,0]=3 17899 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,2,0,0,0,0|1,0,0]=3 17900 B13R1.44 CCCCN([13CH3])Cc1ccccn1 2230a_200000200672_200025704644 [0,2,0,0,0,0|2,0,0]=4 17901 B13R1.44 CCCCN([13CH3])Cc1ccccn1 269982a_200000200672_200025704644 [0,2,0,0,0,0|2,0,0]=4 17902 B13R1.44 CCCCN([13CH3])Cc1cccnc1 2230a_200000200674_200025704644 [0,2,0,0,0,0|2,0,0]=4 17903 B13R1.44 CCCCN([13CH3])Cc1cccnc1 269982a_200000200674_200025704644 [0,2,0,0,0,0|2,0,0]=4 17904 B13R1.44 CCCCN([13CH3])Cc1ccncc1 2230a_200015187765_200025704644 [0,2,0,0,0,0|2,0,0]=4 17905 B13R1.44 CCCCN([13CH3])Cc1ccncc1 269982a_200015187765_200025704644 [0,2,0,0,0,0|2,0,0]=4 17906 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [0,2,0,0,0,0|2,0,0]=4 17907 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,2,0,0,0,0|2,0,0]=4 17908 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,2,0,0,0,0|2,0,0]=4 17909 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,2,0,0,0,0|2,0,0]=4 17910 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [0,2,0,0,0,0|2,0,0]=4 17911 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,2,0,0,0,0|1,0,0]=3 17912 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,2,0,0,0,0|1,0,0]=3 17913 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,2,0,0,0,0|1,0,0]=3 17914 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,2,0,0,0,0|1,0,0]=3 17915 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,2,0,0,0,0|1,0,0]=3 17916 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,2,0,0,0,0|1,0,1]=4 17917 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,2,0,0,0,0|2,0,0]=4 17918 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,2,0,0,0,0|2,0,0]=4 17919 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,2,0,0,0,0|1,0,0]=3 17920 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,2,0,0,0,0|1,0,0]=3 17921 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,2,0,0,0,0|1,0,1]=4 17922 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 17923 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 17924 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 17925 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 17926 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,2,0,0,0,0|1,0,0]=3 17927 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,2,0,0,0,0|2,0,0]=4 17928 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,2,0,0,0,0|1,0,0]=3 17929 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [0,2,0,0,0,0|1,0,1]=4 17930 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [0,2,0,0,0,0|1,0,1]=4 17931 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [0,2,0,0,0,0|1,0,1]=4 17932 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,2,0,0,0,0|1,0,0]=3 17933 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,2,0,0,0,0|1,0,0]=3 17934 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000177507_200000210301 [0,2,0,0,0,0|0,0,2]=4 17935 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000184479_100015291786 [0,2,0,0,0,0|0,0,2]=4 17936 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000186898_100011215226 [0,2,0,0,0,0|0,0,2]=4 17937 B13R1.44 CN(CCC#N)Cc1ccccc1 269982a_100000186898_100011215226 [0,2,0,0,0,0|0,0,2]=4 17938 B13R1.44 CN(CCC#N)Cc1ccccc1 270004a_100000184479_100015611070 [0,2,0,0,0,0|0,0,2]=4 17939 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [0,2,0,0,0,0|1,0,0]=3 17940 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [0,2,0,0,0,0|1,0,0]=3 17941 B13R1.44 CN(CCCF)Cc1ccccn1 2230a_100000207498_100011934791 [0,2,0,0,0,0|2,0,0]=4 17942 B13R1.44 CN(CCCF)Cc1ccccn1 269982a_100000207498_100011934791 [0,2,0,0,0,0|2,0,0]=4 17943 B13R1.44 CN(CCCF)Cc1cccnc1 2230a_100000184577_100011934791 [0,2,0,0,0,0|2,0,0]=4 17944 B13R1.44 CN(CCCF)Cc1cccnc1 269982a_100000184577_100011934791 [0,2,0,0,0,0|2,0,0]=4 17945 B13R1.44 CN(CCCF)Cc1ccncc1 2230a_100000187231_100011934791 [0,2,0,0,0,0|2,0,0]=4 17946 B13R1.44 CN(CCCF)Cc1ccncc1 269982a_100000187231_100011934791 [0,2,0,0,0,0|2,0,0]=4 17947 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [0,2,0,0,0,0|1,0,0]=3 17948 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [0,2,0,0,0,0|1,0,0]=3 17949 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [0,2,0,0,0,0|1,0,0]=3 17950 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [0,2,0,0,0,0|1,0,0]=3 17951 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [0,2,0,0,0,0|1,0,0]=3 17952 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [0,2,0,0,0,0|1,0,0]=3 17953 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [0,2,0,0,0,0|1,0,0]=3 17954 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000200612_200000210301 [0,2,0,0,0,0|2,0,0]=4 17955 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000207498_100000230001 [0,2,0,0,0,0|2,0,0]=4 17956 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000213112_100000721315 [0,2,0,0,0,0|2,0,0]=4 17957 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000200612_200000210301 [0,2,0,0,0,0|2,0,0]=4 17958 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000207498_100011215043 [0,2,0,0,0,0|2,0,0]=4 17959 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000213112_100000721315 [0,2,0,0,0,0|2,0,0]=4 17960 B13R1.44 CN(CCCO)Cc1ccccn1 270004a_100000213112_100000209966 [0,2,0,0,0,0|2,0,0]=4 17961 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000184577_100000230001 [0,2,0,0,0,0|2,0,0]=4 17962 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000213112_100000741622 [0,2,0,0,0,0|2,0,0]=4 17963 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_114849113521_200000210301 [0,2,0,0,0,0|2,0,0]=4 17964 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000184577_100011215043 [0,2,0,0,0,0|2,0,0]=4 17965 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000213112_100000733263 [0,2,0,0,0,0|2,0,0]=4 17966 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_114849113521_200000210301 [0,2,0,0,0,0|2,0,0]=4 17967 B13R1.44 CN(CCCO)Cc1cccnc1 270004a_100000213112_100000209961 [0,2,0,0,0,0|2,0,0]=4 17968 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_100000187231_100000230001 [0,2,0,0,0,0|2,0,0]=4 17969 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_100000213112_100015193705 [0,2,0,0,0,0|2,0,0]=4 17970 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_106638131412_200000210301 [0,2,0,0,0,0|2,0,0]=4 17971 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_100000187231_100011215043 [0,2,0,0,0,0|2,0,0]=4 17972 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_100000213112_100015193705 [0,2,0,0,0,0|2,0,0]=4 17973 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_106638131412_200000210301 [0,2,0,0,0,0|2,0,0]=4 17974 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [0,2,0,0,0,0|2,0,0]=4 17975 B13R1.44 CNCCC(=O)Nc1ccccc1 2230a_106832991635_100000242058 [0,2,0,0,0,0|1,0,1]=4 17976 B13R1.44 CNCCC(=O)Nc1ccccc1 34a_100102657272_100000242058 [0,2,0,0,0,0|1,0,1]=4 17977 B13R1.44 CNCCC(=O)Nc1ccccc1 7a_106832991635_100000242058 [0,2,0,0,0,0|1,0,1]=4 17978 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [0,2,0,0,0,0|1,0,1]=4 17979 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [0,2,0,0,0,0|1,0,1]=4 17980 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [0,2,0,0,0,0|1,0,0]=3 17981 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [0,2,0,0,0,0|1,0,0]=3 17982 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [0,2,0,0,0,0|1,0,0]=3 17983 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,2,0,0,0,0|1,0,1]=4 17984 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,2,0,0,0,0|2,0,0]=4 17985 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,2,0,0,0,0|2,0,0]=4 17986 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,2,0,0,0,0|2,0,0]=4 17987 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,2,0,0,0,0|2,0,0]=4 17988 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,2,0,0,0,0|2,0,0]=4 17989 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,2,0,0,0,0|2,0,0]=4 17990 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,2,0,0,0,0|2,0,0]=4 17991 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,2,0,0,0,0|2,0,0]=4 17992 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [0,2,0,0,0,0|1,0,1]=4 17993 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [0,2,0,0,0,0|2,0,0]=4 17994 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [0,2,0,0,0,0|2,0,0]=4 17995 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [0,2,0,0,0,0|2,0,0]=4 17996 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [0,2,0,0,0,0|2,0,0]=4 17997 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [0,2,0,0,0,0|2,0,0]=4 17998 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [0,2,0,0,0,0|2,0,0]=4 17999 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,2,0,0,0,0|2,0,0]=4 18000 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,2,0,0,0,0|2,0,0]=4 18001 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,2,0,0,0,0|2,0,0]=4 18002 B13R1.44 N#CCCC(=O)Cc1ccccc1 1458a_100011934036_100015291786 [0,2,0,0,0,0|0,0,2]=4 18003 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,2,0,0,0,0|1,0,0]=3 18004 B13R1.44 O=C(CCCF)C[n+]1ccccc1 1458a_200000086051_100011934791 [0,2,0,0,0,0|2,0,0]=4 18005 B13R1.44 O=C(CCCF)Cc1ccccn1 1458a_100000233486_100011934791 [0,2,0,0,0,0|2,0,0]=4 18006 B13R1.44 O=C(CCCF)Cc1cccnc1 1458a_100000737805_100011934791 [0,2,0,0,0,0|2,0,0]=4 18007 B13R1.44 O=C(CCCO)C[n+]1ccccc1 1458a_200000086051_100011215043 [0,2,0,0,0,0|2,0,0]=4 18008 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,2,0,0,0,0|2,0,0]=4 18009 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,2,0,0,0,0|2,0,0]=4 18010 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100000233483_100015361967 [0,2,0,0,0,0|1,0,1]=4 18011 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100015361967_100000233483 [0,2,0,0,0,0|1,0,1]=4 18012 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [0,2,0,0,0,0|1,0,0]=3 18013 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [0,2,0,0,0,0|1,0,0]=3 18014 B13R1.44 [13CH3]N(CCC#N)Cc1ccccc1 2230a_100000177507_200025704644 [0,2,0,0,0,0|0,0,2]=4 18015 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [0,2,0,0,0,0|1,0,0]=3 18016 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [0,2,0,0,0,0|1,0,0]=3 18017 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 2230a_100000200612_200025704644 [0,2,0,0,0,0|2,0,0]=4 18018 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 269982a_100000200612_200025704644 [0,2,0,0,0,0|2,0,0]=4 18019 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 2230a_114849113521_200025704644 [0,2,0,0,0,0|2,0,0]=4 18020 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 269982a_114849113521_200025704644 [0,2,0,0,0,0|2,0,0]=4 18021 B13R1.44 [13CH3]N(CCCO)Cc1ccncc1 2230a_106638131412_200025704644 [0,2,0,0,0,0|2,0,0]=4 18022 B13R1.44 [13CH3]N(CCCO)Cc1ccncc1 269982a_106638131412_200025704644 [0,2,0,0,0,0|2,0,0]=4 18023 B13R1.337 C=C(Br)CCOCc1ccccc1 34a_100009813270_100015291786 [0,2,0,0,0,0|1,0,1]=4 18024 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,2,0,0,0,0|1,0,1]=4 18025 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,2,0,0,0,0|1,0,1]=4 18026 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,2,0,0,0,0|1,0,1]=4 18027 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,2,0,0,0,0|1,0,1]=4 18028 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,2,0,0,0,0|1,0,1]=4 18029 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,2,0,0,0,0|1,0,1]=4 18030 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,2,0,0,0,0|1,0,1]=4 18031 B13R1.337 C=C(C)CNCCc1ccccc1 2230a_100000106460_100000748629 [0,2,0,0,0,0|1,0,1]=4 18032 B13R1.337 C=C(C)CNCCc1ccccc1 34a_100000106460_100000748629 [0,2,0,0,0,0|1,0,1]=4 18033 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,2,0,0,0,0|1,0,1]=4 18034 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,2,0,0,0,0|1,0,1]=4 18035 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,2,0,0,0,0|1,0,1]=4 18036 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,2,0,0,0,0|1,0,1]=4 18037 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,2,0,0,0,0|1,0,1]=4 18038 B13R1.337 C=C(F)CNCCc1ccccc1 2230a_100000106460_100009893438 [0,2,0,0,0,0|1,0,1]=4 18039 B13R1.337 C=C(F)CNCCc1ccccc1 34a_100000106460_100009893438 [0,2,0,0,0,0|1,0,1]=4 18040 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [0,2,0,0,0,0|1,0,1]=4 18041 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [0,2,0,0,0,0|1,0,1]=4 18042 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [0,2,0,0,0,0|1,0,1]=4 18043 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000042424_100011218657 [0,2,0,0,0,0|1,0,1]=4 18044 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000765856_100000042424 [0,2,0,0,0,0|1,0,1]=4 18045 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,2,0,0,0,0|1,0,0]=3 18046 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,2,0,0,0,0|1,0,0]=3 18047 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [0,2,0,0,0,0|2,0,0]=4 18048 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,2,0,0,0,0|1,0,1]=4 18049 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,2,0,0,0,0|1,0,1]=4 18050 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,2,0,0,0,0|1,0,1]=4 18051 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,2,0,0,0,0|1,0,1]=4 18052 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,2,0,0,0,0|1,0,1]=4 18053 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,2,0,0,0,0|1,0,1]=4 18054 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,2,0,0,0,0|1,0,1]=4 18055 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,2,0,0,0,0|1,0,1]=4 18056 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,2,0,0,0,0|1,0,1]=4 18057 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,2,0,0,0,0|1,0,1]=4 18058 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,2,0,0,0,0|1,0,1]=4 18059 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,2,0,0,0,0|1,0,1]=4 18060 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,2,0,0,0,0|1,0,1]=4 18061 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,2,0,0,0,0|1,0,1]=4 18062 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,2,0,0,0,0|1,0,1]=4 18063 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,2,0,0,0,0|1,0,1]=4 18064 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,2,0,0,0,0|1,0,1]=4 18065 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,2,0,0,0,0|1,0,1]=4 18066 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,2,0,0,0,0|1,0,1]=4 18067 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,2,0,0,0,0|1,0,1]=4 18068 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,2,0,0,0,0|1,0,1]=4 18069 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,2,0,0,0,0|1,0,1]=4 18070 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,2,0,0,0,0|1,0,1]=4 18071 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,2,0,0,0,0|1,0,0]=3 18072 B13R1.337 CC(Br)CCOCc1ccccn1 34a_100009893172_100000721315 [0,2,0,0,0,0|2,0,0]=4 18073 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [0,2,0,0,0,0|2,0,0]=4 18074 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [0,2,0,0,0,0|1,0,0]=3 18075 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,2,0,0,0,0|1,0,0]=3 18076 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,2,0,0,0,0|1,0,0]=3 18077 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,2,0,0,0,0|1,0,0]=3 18078 B13R1.337 CC(C)CCCOc1cccnc1 34a_100000210849_100011214892 [0,2,0,0,0,0|2,0,0]=4 18079 B13R1.337 CC(C)CCCOc1cccnc1 7a_100000210849_100011214892 [0,2,0,0,0,0|2,0,0]=4 18080 B13R1.337 CC(C)CCCOc1ccncc1 34a_100000212176_100011214892 [0,2,0,0,0,0|2,0,0]=4 18081 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [0,2,0,0,0,0|1,0,0]=3 18082 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [0,2,0,0,0,0|1,0,0]=3 18083 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011214892_100011216584 [0,2,0,0,0,0|2,0,0]=4 18084 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011216584_100011214892 [0,2,0,0,0,0|2,0,0]=4 18085 B13R1.337 CC(C)CCCSc1cccnc1 62a_100000210063_100011214892 [0,2,0,0,0,0|2,0,0]=4 18086 B13R1.337 CC(C)CCCSc1cccnc1 62a_100011214892_100000210063 [0,2,0,0,0,0|2,0,0]=4 18087 B13R1.337 CC(C)CCCSc1ccncc1 62a_100000728582_100011214892 [0,2,0,0,0,0|2,0,0]=4 18088 B13R1.337 CC(C)CCCSc1ccncc1 62a_100011214892_100000728582 [0,2,0,0,0,0|2,0,0]=4 18089 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,2,0,0,0,0|1,0,0]=3 18090 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,2,0,0,0,0|1,0,0]=3 18091 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,2,0,0,0,0|1,0,0]=3 18092 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,2,0,0,0,0|1,0,0]=3 18093 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,2,0,0,0,0|1,0,0]=3 18094 B13R1.337 CC(C)CCNCc1ccccn1 207a_100000210545_100000209966 [0,2,0,0,0,0|2,0,0]=4 18095 B13R1.337 CC(C)CCNCc1ccccn1 270004a_100000210545_100000209966 [0,2,0,0,0,0|2,0,0]=4 18096 B13R1.337 CC(C)CCNCc1cccnc1 207a_100000210545_100000209961 [0,2,0,0,0,0|2,0,0]=4 18097 B13R1.337 CC(C)CCNCc1cccnc1 269862a_100000210453_100000185833 [0,2,0,0,0,0|2,0,0]=4 18098 B13R1.337 CC(C)CCNCc1cccnc1 270004a_100000210545_100000209961 [0,2,0,0,0,0|2,0,0]=4 18099 B13R1.337 CC(C)CCNCc1ccncc1 207a_100000210545_100000186114 [0,2,0,0,0,0|2,0,0]=4 18100 B13R1.337 CC(C)CCNCc1ccncc1 269862a_100000210450_100000185833 [0,2,0,0,0,0|2,0,0]=4 18101 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,2,0,0,0,0|1,0,0]=3 18102 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,2,0,0,0,0|1,0,0]=3 18103 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,2,0,0,0,0|1,0,0]=3 18104 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,2,0,0,0,0|1,0,0]=3 18105 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [0,2,0,0,0,0|2,0,0]=4 18106 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [0,2,0,0,0,0|2,0,0]=4 18107 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [0,2,0,0,0,0|2,0,0]=4 18108 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [0,2,0,0,0,0|2,0,0]=4 18109 B13R1.337 CC(C)CCOCc1ccncc1 7a_100000210254_100015193705 [0,2,0,0,0,0|2,0,0]=4 18110 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,2,0,0,0,0|1,0,0]=3 18111 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,2,0,0,0,0|1,0,0]=3 18112 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000210312_100000721315 [0,2,0,0,0,0|2,0,0]=4 18113 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000721315_100000210312 [0,2,0,0,0,0|2,0,0]=4 18114 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000210312_100000741622 [0,2,0,0,0,0|2,0,0]=4 18115 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000741622_100000210312 [0,2,0,0,0,0|2,0,0]=4 18116 B13R1.337 CC(C)CCSCc1ccncc1 62a_100000210312_100015193705 [0,2,0,0,0,0|2,0,0]=4 18117 B13R1.337 CC(C)CCSCc1ccncc1 62a_100015193705_100000210312 [0,2,0,0,0,0|2,0,0]=4 18118 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [0,2,0,0,0,0|1,0,0]=3 18119 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [0,2,0,0,0,0|1,0,0]=3 18120 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [0,2,0,0,0,0|1,0,0]=3 18121 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [0,2,0,0,0,0|1,0,0]=3 18122 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [0,2,0,0,0,0|1,0,0]=3 18123 B13R1.337 CC(C)CNCCc1ccccn1 2230a_100000210953_100015183660 [0,2,0,0,0,0|2,0,0]=4 18124 B13R1.337 CC(C)CNCCc1ccccn1 270004a_100000211156_100000210432 [0,2,0,0,0,0|2,0,0]=4 18125 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000210953_200011713674 [0,2,0,0,0,0|2,0,0]=4 18126 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000736294_100000210760 [0,2,0,0,0,0|2,0,0]=4 18127 B13R1.337 CC(C)CNCCc1cccnc1 270004a_100000736294_100000210432 [0,2,0,0,0,0|2,0,0]=4 18128 B13R1.337 CC(C)CNCCc1ccncc1 2230a_100000210953_100000723409 [0,2,0,0,0,0|2,0,0]=4 18129 B13R1.337 CC(C)CNCCc1ccncc1 270004a_100000742849_100000210432 [0,2,0,0,0,0|2,0,0]=4 18130 B13R1.337 CC(C)CNCSc1ccccc1 2230a_100000210953_100011218342 [0,2,0,0,0,0|2,0,0]=4 18131 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [0,2,0,0,0,0|1,0,0]=3 18132 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [0,2,0,0,0,0|1,0,0]=3 18133 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [0,2,0,0,0,0|1,0,0]=3 18134 B13R1.337 CC(C)COCCc1ccccn1 34a_100000210271_100000210624 [0,2,0,0,0,0|2,0,0]=4 18135 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [0,2,0,0,0,0|2,0,0]=4 18136 B13R1.337 CC(C)COCCc1ccncc1 34a_100011216225_100000210624 [0,2,0,0,0,0|2,0,0]=4 18137 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [0,2,0,0,0,0|1,0,0]=3 18138 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [0,2,0,0,0,0|1,0,0]=3 18139 B13R1.337 CC(C)CSCCc1ccccn1 62a_100000210624_100015183660 [0,2,0,0,0,0|2,0,0]=4 18140 B13R1.337 CC(C)CSCCc1ccccn1 62a_100015183660_100000210760 [0,2,0,0,0,0|2,0,0]=4 18141 B13R1.337 CC(C)CSCCc1cccnc1 62a_100000210624_200011713674 [0,2,0,0,0,0|2,0,0]=4 18142 B13R1.337 CC(C)CSCCc1cccnc1 62a_200011713674_100000210760 [0,2,0,0,0,0|2,0,0]=4 18143 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000210624_100000723409 [0,2,0,0,0,0|2,0,0]=4 18144 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000723409_100000210760 [0,2,0,0,0,0|2,0,0]=4 18145 B13R1.337 CC(C)CSCSc1ccccc1 62a_100000210624_100011218342 [0,2,0,0,0,0|2,0,0]=4 18146 B13R1.337 CC(C)CSCSc1ccccc1 62a_100011218342_100000210760 [0,2,0,0,0,0|2,0,0]=4 18147 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [0,2,0,0,0,0|1,0,0]=3 18148 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [0,2,0,0,0,0|1,0,0]=3 18149 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [0,2,0,0,0,0|1,0,0]=3 18150 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [0,2,0,0,0,0|1,0,0]=3 18151 B13R1.337 CC(C)NCCCc1cccnc1 2230a_100011532358_100000210206 [0,2,0,0,0,0|2,0,0]=4 18152 B13R1.337 CC(C)NCCCc1cccnc1 34a_100011532358_100000210206 [0,2,0,0,0,0|2,0,0]=4 18153 B13R1.337 CC(C)NCCCc1ccncc1 2230a_100011275580_100000210206 [0,2,0,0,0,0|2,0,0]=4 18154 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100000174943_100000210206 [0,2,0,0,0,0|2,0,0]=4 18155 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100138425928_100000184471 [0,2,0,0,0,0|2,0,0]=4 18156 B13R1.337 CC(C)NCCOc1ccccc1 34a_100000174943_100000210206 [0,2,0,0,0,0|2,0,0]=4 18157 B13R1.337 CC(C)NCCOc1ccccc1 34a_100138425928_100000184471 [0,2,0,0,0,0|2,0,0]=4 18158 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100000189519_100000210206 [0,2,0,0,0,0|2,0,0]=4 18159 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100138425928_100000246102 [0,2,0,0,0,0|2,0,0]=4 18160 B13R1.337 CC(C)NCCSc1ccccc1 34a_100138425928_100000246102 [0,2,0,0,0,0|2,0,0]=4 18161 B13R1.337 CC(C)NCOCc1ccccc1 2230a_100138425928_100000763385 [0,2,0,0,0,0|2,0,0]=4 18162 B13R1.337 CC(C)NCOCc1ccccc1 34a_100138425928_100000763385 [0,2,0,0,0,0|2,0,0]=4 18163 B13R1.337 CC(C)NCSCc1ccccc1 2230a_100138425928_200011217039 [0,2,0,0,0,0|2,0,0]=4 18164 B13R1.337 CC(C)NCSCc1ccccc1 34a_100138425928_200011217039 [0,2,0,0,0,0|2,0,0]=4 18165 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,2,0,0,0,0|1,0,0]=3 18166 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,2,0,0,0,0|1,0,0]=3 18167 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,2,0,0,0,0|1,0,0]=3 18168 B13R1.337 CC(C)OCCCc1ccccn1 34a_100011215068_100000210206 [0,2,0,0,0,0|2,0,0]=4 18169 B13R1.337 CC(C)OCCCc1cccnc1 34a_100000211284_100000210206 [0,2,0,0,0,0|2,0,0]=4 18170 B13R1.337 CC(C)OCCCc1ccncc1 34a_100000210659_100000210206 [0,2,0,0,0,0|2,0,0]=4 18171 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000106764_100000211751 [0,2,0,0,0,0|2,0,0]=4 18172 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000211345_100000210206 [0,2,0,0,0,0|2,0,0]=4 18173 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210260_100000210206 [0,2,0,0,0,0|2,0,0]=4 18174 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210340_100000211751 [0,2,0,0,0,0|2,0,0]=4 18175 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000212225_100000184471 [0,2,0,0,0,0|2,0,0]=4 18176 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210260_100000210206 [0,2,0,0,0,0|2,0,0]=4 18177 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210340_100000211751 [0,2,0,0,0,0|2,0,0]=4 18178 B13R1.337 CC(C)OCCSc1ccccc1 34a_100000212225_100000246102 [0,2,0,0,0,0|2,0,0]=4 18179 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000211751_100000041952 [0,2,0,0,0,0|2,0,0]=4 18180 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000719477_100000211751 [0,2,0,0,0,0|2,0,0]=4 18181 B13R1.337 CC(C)OCCSc1ccccc1 7a_100000230494_100000210206 [0,2,0,0,0,0|2,0,0]=4 18182 B13R1.337 CC(C)OCNCc1ccccc1 2230a_100015324214_100000709892 [0,2,0,0,0,0|2,0,0]=4 18183 B13R1.337 CC(C)OCNCc1ccccc1 34a_100015324214_100000709892 [0,2,0,0,0,0|2,0,0]=4 18184 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000210790_100000709892 [0,2,0,0,0,0|2,0,0]=4 18185 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000212225_100000763385 [0,2,0,0,0,0|2,0,0]=4 18186 B13R1.337 CC(C)OCSCc1ccccc1 34a_100000212225_200011217039 [0,2,0,0,0,0|2,0,0]=4 18187 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000211182_100000709892 [0,2,0,0,0,0|2,0,0]=4 18188 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000709892_100015291786 [0,2,0,0,0,0|2,0,0]=4 18189 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [0,2,0,0,0,0|1,0,0]=3 18190 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [0,2,0,0,0,0|1,0,0]=3 18191 B13R1.337 CC(C)SCCNc1ccccc1 34a_100000106764_100000730970 [0,2,0,0,0,0|2,0,0]=4 18192 B13R1.337 CC(C)SCCOc1ccccc1 34a_100000210340_100000730970 [0,2,0,0,0,0|2,0,0]=4 18193 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000184471_100000210206 [0,2,0,0,0,0|2,0,0]=4 18194 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000210206_100000184471 [0,2,0,0,0,0|2,0,0]=4 18195 B13R1.337 CC(C)SCCOc1ccccc1 7a_100000210340_100000730970 [0,2,0,0,0,0|2,0,0]=4 18196 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000210206_100000246102 [0,2,0,0,0,0|2,0,0]=4 18197 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000246102_100000210206 [0,2,0,0,0,0|2,0,0]=4 18198 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000719477_100000730970 [0,2,0,0,0,0|2,0,0]=4 18199 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000730970_100000041952 [0,2,0,0,0,0|2,0,0]=4 18200 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000210206_100000763385 [0,2,0,0,0,0|2,0,0]=4 18201 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000763385_100000210206 [0,2,0,0,0,0|2,0,0]=4 18202 B13R1.337 CC(C)SCSCc1ccccc1 62a_100000210206_200011217039 [0,2,0,0,0,0|2,0,0]=4 18203 B13R1.337 CC(C)SCSCc1ccccc1 62a_200011217039_100000210206 [0,2,0,0,0,0|2,0,0]=4 18204 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [0,2,0,0,0,0|1,0,0]=3 18205 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,2,0,0,0,0|1,0,0]=3 18206 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,2,0,0,0,0|1,0,0]=3 18207 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,2,0,0,0,0|1,0,0]=3 18208 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,2,0,0,0,0|2,0,0]=4 18209 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,2,0,0,0,0|2,0,0]=4 18210 B13R1.337 CC(O)CCCOc1ccncc1 34a_100000212176_200000718107 [0,2,0,0,0,0|2,0,0]=4 18211 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,2,0,0,0,0|1,0,0]=3 18212 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,2,0,0,0,0|1,0,0]=3 18213 B13R1.337 CC(O)CCCSc1ccccn1 62a_100011216584_200000718107 [0,2,0,0,0,0|2,0,0]=4 18214 B13R1.337 CC(O)CCCSc1ccccn1 62a_200000718107_100011216584 [0,2,0,0,0,0|2,0,0]=4 18215 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,2,0,0,0,0|2,0,0]=4 18216 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,2,0,0,0,0|2,0,0]=4 18217 B13R1.337 CC(O)CCCSc1ccncc1 62a_100000728582_200000718107 [0,2,0,0,0,0|2,0,0]=4 18218 B13R1.337 CC(O)CCCSc1ccncc1 62a_200000718107_100000728582 [0,2,0,0,0,0|2,0,0]=4 18219 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,2,0,0,0,0|1,0,0]=3 18220 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,2,0,0,0,0|1,0,0]=3 18221 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,2,0,0,0,0|1,0,0]=3 18222 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,2,0,0,0,0|1,0,0]=3 18223 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,2,0,0,0,0|1,0,0]=3 18224 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,2,0,0,0,0|2,0,0]=4 18225 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,2,0,0,0,0|2,0,0]=4 18226 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,2,0,0,0,0|2,0,0]=4 18227 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,2,0,0,0,0|2,0,0]=4 18228 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,2,0,0,0,0|2,0,0]=4 18229 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,2,0,0,0,0|2,0,0]=4 18230 B13R1.337 CC(O)CCNCc1ccncc1 207a_200000755665_100000186114 [0,2,0,0,0,0|2,0,0]=4 18231 B13R1.337 CC(O)CCNCc1ccncc1 2230a_200000755665_100015193705 [0,2,0,0,0,0|2,0,0]=4 18232 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,2,0,0,0,0|1,0,0]=3 18233 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,2,0,0,0,0|1,0,0]=3 18234 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,2,0,0,0,0|1,0,0]=3 18235 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,2,0,0,0,0|1,0,0]=3 18236 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [0,2,0,0,0,0|2,0,0]=4 18237 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [0,2,0,0,0,0|2,0,0]=4 18238 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,2,0,0,0,0|2,0,0]=4 18239 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,2,0,0,0,0|2,0,0]=4 18240 B13R1.337 CC(O)CCSCc1ccncc1 62a_100012276601_100015193705 [0,2,0,0,0,0|2,0,0]=4 18241 B13R1.337 CC(O)CCSCc1ccncc1 62a_100015193705_100012276601 [0,2,0,0,0,0|2,0,0]=4 18242 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,2,0,0,0,0|1,0,0]=3 18243 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,2,0,0,0,0|1,0,0]=3 18244 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,2,0,0,0,0|1,0,0]=3 18245 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,2,0,0,0,0|1,0,0]=3 18246 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [0,2,0,0,0,0|2,0,0]=4 18247 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,2,0,0,0,0|2,0,0]=4 18248 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,2,0,0,0,0|2,0,0]=4 18249 B13R1.337 CC(O)CNCCc1ccncc1 2230a_100000210904_100000723409 [0,2,0,0,0,0|2,0,0]=4 18250 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [0,2,0,0,0,0|2,0,0]=4 18251 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,2,0,0,0,0|1,0,0]=3 18252 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,2,0,0,0,0|1,0,0]=3 18253 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [0,2,0,0,0,0|2,0,0]=4 18254 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,2,0,0,0,0|2,0,0]=4 18255 B13R1.337 CC(O)COCCc1ccncc1 34a_100011216225_100011218427 [0,2,0,0,0,0|2,0,0]=4 18256 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,2,0,0,0,0|1,0,0]=3 18257 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,2,0,0,0,0|1,0,0]=3 18258 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [0,2,0,0,0,0|2,0,0]=4 18259 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [0,2,0,0,0,0|2,0,0]=4 18260 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,2,0,0,0,0|2,0,0]=4 18261 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,2,0,0,0,0|2,0,0]=4 18262 B13R1.337 CC(O)CSCCc1ccncc1 62a_100000723409_100011218427 [0,2,0,0,0,0|2,0,0]=4 18263 B13R1.337 CC(O)CSCCc1ccncc1 62a_100011218427_100000723409 [0,2,0,0,0,0|2,0,0]=4 18264 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [0,2,0,0,0,0|2,0,0]=4 18265 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [0,2,0,0,0,0|2,0,0]=4 18266 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,2,0,0,0,0|0,0,0]=2 18267 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,2,0,0,0,0|0,0,0]=2 18268 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,2,0,0,0,0|0,0,0]=2 18269 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,2,0,0,0,0|0,0,0]=2 18270 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,2,0,0,0,0|0,0,0]=2 18271 B13R1.337 CN(C)CCCCc1ccncc1 2230a_100102631434_100020630000 [0,2,0,0,0,0|1,0,0]=3 18272 B13R1.337 CN(C)CCCCc1ccncc1 269982a_100102631434_100020630000 [0,2,0,0,0,0|1,0,0]=3 18273 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,2,0,0,0,0|1,0,0]=3 18274 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,2,0,0,0,0|1,0,0]=3 18275 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,2,0,0,0,0|1,0,0]=3 18276 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,2,0,0,0,0|1,0,0]=3 18277 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,2,0,0,0,0|1,0,0]=3 18278 B13R1.337 CN(C)CCCOc1cccnc1 7a_100000210849_100000757444 [0,2,0,0,0,0|2,0,0]=4 18279 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [0,2,0,0,0,0|1,0,0]=3 18280 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [0,2,0,0,0,0|1,0,0]=3 18281 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [0,2,0,0,0,0|1,0,0]=3 18282 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [0,2,0,0,0,0|1,0,0]=3 18283 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [0,2,0,0,0,0|1,0,0]=3 18284 B13R1.337 CN(C)CCCSc1ccccn1 62a_100011216584_100000757444 [0,2,0,0,0,0|2,0,0]=4 18285 B13R1.337 CN(C)CCCSc1cccnc1 62a_100000210063_100000757444 [0,2,0,0,0,0|2,0,0]=4 18286 B13R1.337 CN(C)CCCSc1ccncc1 62a_100000728582_100000757444 [0,2,0,0,0,0|2,0,0]=4 18287 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,2,0,0,0,0|1,0,0]=3 18288 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,2,0,0,0,0|1,0,0]=3 18289 B13R1.337 CN(C)CCNCc1ccccn1 207a_100000210585_100000209966 [0,2,0,0,0,0|2,0,0]=4 18290 B13R1.337 CN(C)CCNCc1ccccn1 270004a_100000210585_100000209966 [0,2,0,0,0,0|2,0,0]=4 18291 B13R1.337 CN(C)CCNCc1cccnc1 207a_100000210585_100000209961 [0,2,0,0,0,0|2,0,0]=4 18292 B13R1.337 CN(C)CCNCc1cccnc1 270004a_100000210585_100000209961 [0,2,0,0,0,0|2,0,0]=4 18293 B13R1.337 CN(C)CCNCc1ccncc1 207a_100000210585_100000186114 [0,2,0,0,0,0|2,0,0]=4 18294 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,2,0,0,0,0|1,0,0]=3 18295 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,2,0,0,0,0|1,0,0]=3 18296 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,2,0,0,0,0|1,0,0]=3 18297 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,2,0,0,0,0|1,0,0]=3 18298 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,2,0,0,0,0|1,0,0]=3 18299 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [0,2,0,0,0,0|1,0,0]=3 18300 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [0,2,0,0,0,0|1,0,0]=3 18301 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [0,2,0,0,0,0|1,0,0]=3 18302 B13R1.337 CN(C)CCSCc1ccccn1 62a_100000721315_100000755713 [0,2,0,0,0,0|2,0,0]=4 18303 B13R1.337 CN(C)CCSCc1cccnc1 62a_100000741622_100000755713 [0,2,0,0,0,0|2,0,0]=4 18304 B13R1.337 CN(C)CCSCc1ccncc1 62a_100015193705_100000755713 [0,2,0,0,0,0|2,0,0]=4 18305 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,2,0,0,0,0|0,0,0]=2 18306 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,2,0,0,0,0|0,0,0]=2 18307 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,2,0,0,0,0|0,0,0]=2 18308 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,2,0,0,0,0|1,0,0]=3 18309 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,2,0,0,0,0|1,0,0]=3 18310 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [0,2,0,0,0,0|1,0,0]=3 18311 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [0,2,0,0,0,0|1,0,0]=3 18312 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,2,0,0,0,0|1,0,0]=3 18313 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,2,0,0,0,0|1,0,0]=3 18314 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [0,2,0,0,0,0|1,0,0]=3 18315 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,2,0,0,0,0|0,0,0]=2 18316 B13R1.337 C[C@@H](N)CCOCc1ccccn1 34a_100000706166_100000721315 [0,2,0,0,0,0|1,0,0]=3 18317 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [0,2,0,0,0,0|1,0,0]=3 18318 B13R1.337 C[C@@H](N)CCOCc1cccnn1 34a_100000706166_100016990269 [0,2,0,0,0,0|2,0,0]=4 18319 B13R1.337 C[C@@H](N)CCOCc1cnccn1 34a_100000706166_100016995436 [0,2,0,0,0,0|2,0,0]=4 18320 B13R1.337 C[C@@H](N)CCOCc1cncnc1 34a_100000706166_100015196519 [0,2,0,0,0,0|2,0,0]=4 18321 B13R1.337 C[C@@H](N)CCOCc1ncccn1 34a_100000706166_100000703007 [0,2,0,0,0,0|2,0,0]=4 18322 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,2,0,0,0,0|0,0,0]=2 18323 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,2,0,0,0,0|1,0,0]=3 18324 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,2,0,0,0,0|1,0,0]=3 18325 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,2,0,0,0,0|2,0,0]=4 18326 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,2,0,0,0,0|1,0,0]=3 18327 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,2,0,0,0,0|1,0,0]=3 18328 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [0,2,0,0,0,0|2,0,0]=4 18329 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,2,0,0,0,0|2,0,0]=4 18330 B13R1.337 C[C@@H](O)COCCc1ccncc1 34a_100011216225_100009817552 [0,2,0,0,0,0|2,0,0]=4 18331 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,2,0,0,0,0|1,0,0]=3 18332 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,2,0,0,0,0|1,0,0]=3 18333 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [0,2,0,0,0,0|2,0,0]=4 18334 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [0,2,0,0,0,0|2,0,0]=4 18335 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,2,0,0,0,0|2,0,0]=4 18336 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,2,0,0,0,0|2,0,0]=4 18337 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100000723409_100009817552 [0,2,0,0,0,0|2,0,0]=4 18338 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100009817552_100000723409 [0,2,0,0,0,0|2,0,0]=4 18339 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [0,2,0,0,0,0|2,0,0]=4 18340 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [0,2,0,0,0,0|2,0,0]=4 18341 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [0,2,0,0,0,0|1,0,0]=3 18342 B13R1.337 FC(F)CCOCc1ccccn1 34a_100103093639_100000721315 [0,2,0,0,0,0|2,0,0]=4 18343 B13R1.337 FC(F)CCOCc1cccnc1 34a_100103093639_100000733263 [0,2,0,0,0,0|2,0,0]=4 18344 B13R1.337 FC(F)CNCCc1ccccc1 2230a_100000106460_100011934356 [0,2,0,0,0,0|1,0,0]=3 18345 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000106460_100011934356 [0,2,0,0,0,0|1,0,0]=3 18346 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000765723_100000765856 [0,2,0,0,0,0|1,0,0]=3 18347 B13R1.337 FC(F)CNCCc1cccnc1 2230a_100000736294_100011934356 [0,2,0,0,0,0|2,0,0]=4 18348 B13R1.337 FC(F)COCCc1ccccc1 34a_100000210268_100011934356 [0,2,0,0,0,0|1,0,0]=3 18349 B13R1.337 FC(F)COCCc1ccccc1 34a_100000743014_100000765856 [0,2,0,0,0,0|1,0,0]=3 18350 B13R1.337 FC(F)COCCc1ccccc1 7a_100000210268_100011934356 [0,2,0,0,0,0|1,0,0]=3 18351 B13R1.337 FC(F)COCCc1ccccn1 34a_100000210271_100011934356 [0,2,0,0,0,0|2,0,0]=4 18352 B13R1.337 FC(F)COCCc1cccnc1 34a_100011217484_100011934356 [0,2,0,0,0,0|2,0,0]=4 18353 B13R1.337 FC(F)COCCc1ccncc1 34a_100011216225_100011934356 [0,2,0,0,0,0|2,0,0]=4 18354 B13R1.337 FC(F)CSCCc1ccccc1 62a_100000765856_100011934356 [0,2,0,0,0,0|1,0,0]=3 18355 B13R1.337 FC(F)CSCCc1ccccc1 62a_100011934356_100011218657 [0,2,0,0,0,0|1,0,0]=3 18356 B13R1.337 FC(F)CSCCc1ccccn1 62a_100011934356_100015183660 [0,2,0,0,0,0|2,0,0]=4 18357 B13R1.337 FC(F)CSCCc1ccccn1 62a_100015183660_100011934356 [0,2,0,0,0,0|2,0,0]=4 18358 B13R1.337 FC(F)CSCCc1cccnc1 62a_100011934356_200011713674 [0,2,0,0,0,0|2,0,0]=4 18359 B13R1.337 FC(F)CSCCc1cccnc1 62a_200011713674_100011934356 [0,2,0,0,0,0|2,0,0]=4 18360 B13R1.337 FC(F)CSCCc1ccncc1 62a_100000723409_100011934356 [0,2,0,0,0,0|2,0,0]=4 18361 B13R1.337 FC(F)CSCCc1ccncc1 62a_100011934356_100000723409 [0,2,0,0,0,0|2,0,0]=4 18362 B13R1.337 FC(F)CSCSc1ccccc1 62a_100011218342_100011934356 [0,2,0,0,0,0|2,0,0]=4 18363 B13R1.337 FC(F)CSCSc1ccccc1 62a_100011934356_100011218342 [0,2,0,0,0,0|2,0,0]=4 18364 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,2,0,0,0,0|0,0,1]=3 18365 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,2,0,0,0,0|0,0,1]=3 18366 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,2,0,0,0,0|0,0,1]=3 18367 B13R1.337 NC(=O)CCCOc1cccnc1 34a_100000210849_100102525003 [0,2,0,0,0,0|1,0,1]=4 18368 B13R1.337 NC(=O)CCCOc1cccnc1 7a_100000210849_100102525003 [0,2,0,0,0,0|1,0,1]=4 18369 B13R1.337 NC(=O)CCCOc1ccncc1 34a_100000212176_100102525003 [0,2,0,0,0,0|1,0,1]=4 18370 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,2,0,0,0,0|0,0,1]=3 18371 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,2,0,0,0,0|0,0,1]=3 18372 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100011216584_100102525003 [0,2,0,0,0,0|1,0,1]=4 18373 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100102525003_100011216584 [0,2,0,0,0,0|1,0,1]=4 18374 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100000210063_100102525003 [0,2,0,0,0,0|1,0,1]=4 18375 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100102525003_100000210063 [0,2,0,0,0,0|1,0,1]=4 18376 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100000728582_100102525003 [0,2,0,0,0,0|1,0,1]=4 18377 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100102525003_100000728582 [0,2,0,0,0,0|1,0,1]=4 18378 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,2,0,0,0,0|0,0,1]=3 18379 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,2,0,0,0,0|0,0,1]=3 18380 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,2,0,0,0,0|0,0,1]=3 18381 B13R1.337 NC(=O)CCNCc1ccccn1 207a_100000740010_100000209966 [0,2,0,0,0,0|1,0,1]=4 18382 B13R1.337 NC(=O)CCNCc1cccnc1 207a_100000740010_100000209961 [0,2,0,0,0,0|1,0,1]=4 18383 B13R1.337 NC(=O)CCNCc1ccncc1 207a_100000740010_100000186114 [0,2,0,0,0,0|1,0,1]=4 18384 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,2,0,0,0,0|0,0,1]=3 18385 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,2,0,0,0,0|0,0,1]=3 18386 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,2,0,0,0,0|0,0,1]=3 18387 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,2,0,0,0,0|0,0,1]=3 18388 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [0,2,0,0,0,0|1,0,1]=4 18389 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [0,2,0,0,0,0|1,0,1]=4 18390 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [0,2,0,0,0,0|1,0,1]=4 18391 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [0,2,0,0,0,0|1,0,1]=4 18392 B13R1.337 NC(=O)CCOCc1ccncc1 7a_100000757172_100015193705 [0,2,0,0,0,0|1,0,1]=4 18393 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,2,0,0,0,0|0,0,1]=3 18394 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,2,0,0,0,0|0,0,1]=3 18395 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [0,2,0,0,0,0|1,0,1]=4 18396 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [0,2,0,0,0,0|1,0,1]=4 18397 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [0,2,0,0,0,0|1,0,1]=4 18398 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [0,2,0,0,0,0|1,0,1]=4 18399 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [0,2,0,0,0,0|1,0,1]=4 18400 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [0,2,0,0,0,0|1,0,1]=4 18401 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,2,0,0,0,0|0,0,1]=3 18402 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,2,0,0,0,0|0,0,1]=3 18403 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,2,0,0,0,0|0,0,1]=3 18404 B13R1.337 NC(=O)CNCCc1ccccn1 2230a_100000711301_100015183660 [0,2,0,0,0,0|1,0,1]=4 18405 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000711301_200011713674 [0,2,0,0,0,0|1,0,1]=4 18406 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000736294_100000747473 [0,2,0,0,0,0|1,0,1]=4 18407 B13R1.337 NC(=O)CNCCc1ccncc1 2230a_100000711301_100000723409 [0,2,0,0,0,0|1,0,1]=4 18408 B13R1.337 NC(=O)CNCSc1ccccc1 2230a_100000711301_100011218342 [0,2,0,0,0,0|1,0,1]=4 18409 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,2,0,0,0,0|0,0,1]=3 18410 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,2,0,0,0,0|0,0,1]=3 18411 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [0,2,0,0,0,0|1,0,1]=4 18412 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [0,2,0,0,0,0|1,0,1]=4 18413 B13R1.337 NC(=O)COCCc1ccncc1 34a_100011216225_100000187820 [0,2,0,0,0,0|1,0,1]=4 18414 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,2,0,0,0,0|0,0,1]=3 18415 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,2,0,0,0,0|0,0,1]=3 18416 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100000747473_100015183660 [0,2,0,0,0,0|1,0,1]=4 18417 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100015183660_100000747473 [0,2,0,0,0,0|1,0,1]=4 18418 B13R1.337 NC(=O)CSCCc1cccnc1 62a_100000747473_200011713674 [0,2,0,0,0,0|1,0,1]=4 18419 B13R1.337 NC(=O)CSCCc1cccnc1 62a_200011713674_100000747473 [0,2,0,0,0,0|1,0,1]=4 18420 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000723409_100000747473 [0,2,0,0,0,0|1,0,1]=4 18421 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000747473_100000723409 [0,2,0,0,0,0|1,0,1]=4 18422 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100000747473_100011218342 [0,2,0,0,0,0|1,0,1]=4 18423 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100011218342_100000747473 [0,2,0,0,0,0|1,0,1]=4 18424 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,2,0,0,0,0|1,0,1]=4 18425 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,2,0,0,0,0|1,0,1]=4 18426 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,2,0,0,0,0|1,0,1]=4 18427 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,2,0,0,0,0|1,0,1]=4 18428 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,2,0,0,0,0|1,0,1]=4 18429 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,2,0,0,0,0|1,0,1]=4 18430 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,2,0,0,0,0|1,0,1]=4 18431 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,2,0,0,0,0|1,0,1]=4 18432 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,2,0,0,0,0|1,0,1]=4 18433 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [0,2,0,0,0,0|1,0,1]=4 18434 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,2,0,0,0,0|1,0,1]=4 18435 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [0,2,0,0,0,0|1,0,1]=4 18436 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [0,2,0,0,0,0|1,0,1]=4 18437 B13R1.337 O=[N+]([O-])CNCCc1ccccc1 34a_100000106460_100000761209 [0,2,0,0,0,0|1,0,1]=4 18438 B13R1.337 O=[N+]([O-])COCCc1ccccc1 34a_100000210268_100000761209 [0,2,0,0,0,0|1,0,1]=4 18439 B13R1.337 O=[N+]([O-])CSCCc1ccccc1 62a_100000765856_100000761209 [0,2,0,0,0,0|1,0,1]=4 18440 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,2,0,0,0,0|1,0,0]=3 18441 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,2,0,0,0,0|1,0,1]=4 18442 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,2,0,0,0,0|1,0,1]=4 18443 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,2,0,0,0,0|1,0,1]=4 18444 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,2,0,0,0,0|1,0,1]=4 18445 B13R1.555 BrCCCOCc1ccccc1Br 34a_100011217188_100000184730 [0,2,0,0,0,0|1,0,0]=3 18446 B13R1.555 BrCCCOCc1ccccc1I 34a_100011217188_100011215278 [0,2,0,0,0,0|1,0,0]=3 18447 B13R1.555 BrCCCOCc1cccnc1Br 34a_100011217188_100010140945 [0,2,0,0,0,0|2,0,0]=4 18448 B13R1.555 BrCCCOCc1ncccc1Br 34a_100011217188_100025702911 [0,2,0,0,0,0|2,0,0]=4 18449 B13R1.555 BrCCOCCc1ccccc1Br 34a_100000211926_100012161201 [0,2,0,0,0,0|1,0,0]=3 18450 B13R1.555 C#CCCCNc1ccccc1Br 34a_100000210017_100000695029 [0,2,0,0,0,0|1,0,1]=4 18451 B13R1.555 C#CCCCNc1ccccc1C 34a_100015192222_100000695029 [0,2,0,0,0,0|1,0,1]=4 18452 B13R1.555 C#CCCCNc1ccccc1Cl 34a_100000185783_100000695029 [0,2,0,0,0,0|1,0,1]=4 18453 B13R1.555 C#CCCCNc1ccccc1F 34a_100000210422_100000695029 [0,2,0,0,0,0|1,0,1]=4 18454 B13R1.555 C#CCCCNc1ccccc1I 34a_100000210053_100000695029 [0,2,0,0,0,0|1,0,1]=4 18455 B13R1.555 C#CCCCNc1ccccc1O 34a_100000185747_100000695029 [0,2,0,0,0,0|1,0,1]=4 18456 B13R1.555 C#CCCCOc1ccccc1Br 34a_100000181306_100000695029 [0,2,0,0,0,0|1,0,1]=4 18457 B13R1.555 C#CCCCOc1ccccc1Br 7a_100000181306_100011215417 [0,2,0,0,0,0|1,0,1]=4 18458 B13R1.555 C#CCCCOc1ccccc1C 34a_100000210338_100000695029 [0,2,0,0,0,0|1,0,1]=4 18459 B13R1.555 C#CCCCOc1ccccc1C 7a_100000210338_100011215417 [0,2,0,0,0,0|1,0,1]=4 18460 B13R1.555 C#CCCCOc1ccccc1Cl 34a_100000210172_100000695029 [0,2,0,0,0,0|1,0,1]=4 18461 B13R1.555 C#CCCCOc1ccccc1Cl 7a_100000210172_100011215417 [0,2,0,0,0,0|1,0,1]=4 18462 B13R1.555 C#CCCCOc1ccccc1F 34a_100000210171_100000695029 [0,2,0,0,0,0|1,0,1]=4 18463 B13R1.555 C#CCCCOc1ccccc1F 7a_100000210171_100011215417 [0,2,0,0,0,0|1,0,1]=4 18464 B13R1.555 C#CCCCOc1ccccc1I 34a_100000739446_100000695029 [0,2,0,0,0,0|1,0,1]=4 18465 B13R1.555 C#CCCCOc1ccccc1I 7a_100000739446_100011215417 [0,2,0,0,0,0|1,0,1]=4 18466 B13R1.555 C#CCCCOc1ccccc1N 34a_100000185747_100000695029 [0,2,0,0,0,0|1,0,1]=4 18467 B13R1.555 C#CCCCOc1ccccc1N 7a_100000185747_100011215417 [0,2,0,0,0,0|1,0,1]=4 18468 B13R1.555 C#CCCCSc1ccccc1Br 62a_100000695589_100011215417 [0,2,0,0,0,0|1,0,1]=4 18469 B13R1.555 C#CCCCSc1ccccc1Br 62a_100011215417_100000695589 [0,2,0,0,0,0|1,0,1]=4 18470 B13R1.555 C#CCCCSc1ccccc1C 62a_100000210755_100011215417 [0,2,0,0,0,0|1,0,1]=4 18471 B13R1.555 C#CCCCSc1ccccc1C 62a_100011215417_100000210755 [0,2,0,0,0,0|1,0,1]=4 18472 B13R1.555 C#CCCCSc1ccccc1Cl 62a_100000764095_100011215417 [0,2,0,0,0,0|1,0,1]=4 18473 B13R1.555 C#CCCCSc1ccccc1Cl 62a_100011215417_100000764095 [0,2,0,0,0,0|1,0,1]=4 18474 B13R1.555 C#CCCCSc1ccccc1F 62a_100011215417_100011215700 [0,2,0,0,0,0|1,0,1]=4 18475 B13R1.555 C#CCCCSc1ccccc1F 62a_100011215700_100011215417 [0,2,0,0,0,0|1,0,1]=4 18476 B13R1.555 C#CCCCSc1ccccc1N 62a_100000210017_100011215417 [0,2,0,0,0,0|1,0,1]=4 18477 B13R1.555 C#CCCCSc1ccccc1N 62a_100011215417_100000210017 [0,2,0,0,0,0|1,0,1]=4 18478 B13R1.555 C#CCCCSc1ccccc1O 62a_100000739446_100011215417 [0,2,0,0,0,0|1,0,1]=4 18479 B13R1.555 C#CCCCSc1ccccc1O 62a_100011215417_100000739446 [0,2,0,0,0,0|1,0,1]=4 18480 B13R1.555 C#CCCNCc1ccccc1Br 2230a_100000689332_100000688953 [0,2,0,0,0,0|1,0,1]=4 18481 B13R1.555 C#CCCNCc1ccccc1Br 34a_100000689332_100000688953 [0,2,0,0,0,0|1,0,1]=4 18482 B13R1.555 C#CCCNCc1ccccc1Br 34a_100000755551_100000184730 [0,2,0,0,0,0|1,0,1]=4 18483 B13R1.555 C#CCCNCc1ccccc1C 34a_100000174972_100000688953 [0,2,0,0,0,0|1,0,1]=4 18484 B13R1.555 C#CCCNCc1ccccc1C 34a_100000755551_100000211839 [0,2,0,0,0,0|1,0,1]=4 18485 B13R1.555 C#CCCNCc1ccccc1Cl 2230a_100000174879_100000688953 [0,2,0,0,0,0|1,0,1]=4 18486 B13R1.555 C#CCCNCc1ccccc1Cl 34a_100000174879_100000688953 [0,2,0,0,0,0|1,0,1]=4 18487 B13R1.555 C#CCCNCc1ccccc1Cl 34a_100000755551_100000187162 [0,2,0,0,0,0|1,0,1]=4 18488 B13R1.555 C#CCCNCc1ccccc1F 34a_100000174869_100000688953 [0,2,0,0,0,0|1,0,1]=4 18489 B13R1.555 C#CCCNCc1ccccc1F 34a_100000755551_100000211605 [0,2,0,0,0,0|1,0,1]=4 18490 B13R1.555 C#CCCNCc1ccccc1I 34a_100000755551_100011215278 [0,2,0,0,0,0|1,0,1]=4 18491 B13R1.555 C#CCCNCc1ccccc1O 34a_100000185550_100000688953 [0,2,0,0,0,0|1,0,1]=4 18492 B13R1.555 C#CCCOCc1ccccc1Br 34a_100000756307_100000688953 [0,2,0,0,0,0|1,0,1]=4 18493 B13R1.555 C#CCCOCc1ccccc1Br 34a_100011215631_100000184730 [0,2,0,0,0,0|1,0,1]=4 18494 B13R1.555 C#CCCOCc1ccccc1Br 7a_100000756307_100000688953 [0,2,0,0,0,0|1,0,1]=4 18495 B13R1.555 C#CCCOCc1ccccc1C 34a_100000698903_100000688953 [0,2,0,0,0,0|1,0,1]=4 18496 B13R1.555 C#CCCOCc1ccccc1C 34a_100011215631_100000211839 [0,2,0,0,0,0|1,0,1]=4 18497 B13R1.555 C#CCCOCc1ccccc1C 7a_100000698903_100000688953 [0,2,0,0,0,0|1,0,1]=4 18498 B13R1.555 C#CCCOCc1ccccc1Cl 34a_100000210847_100000688953 [0,2,0,0,0,0|1,0,1]=4 18499 B13R1.555 C#CCCOCc1ccccc1Cl 34a_100011215631_100000187162 [0,2,0,0,0,0|1,0,1]=4 18500 B13R1.555 C#CCCOCc1ccccc1Cl 7a_100000210847_100000688953 [0,2,0,0,0,0|1,0,1]=4 18501 B13R1.555 C#CCCOCc1ccccc1F 34a_100000211962_100000688953 [0,2,0,0,0,0|1,0,1]=4 18502 B13R1.555 C#CCCOCc1ccccc1F 34a_100011215631_100000211605 [0,2,0,0,0,0|1,0,1]=4 18503 B13R1.555 C#CCCOCc1ccccc1F 7a_100000211962_100000688953 [0,2,0,0,0,0|1,0,1]=4 18504 B13R1.555 C#CCCOCc1ccccc1I 34a_100000187465_100000688953 [0,2,0,0,0,0|1,0,1]=4 18505 B13R1.555 C#CCCOCc1ccccc1I 34a_100011215631_100011215278 [0,2,0,0,0,0|1,0,1]=4 18506 B13R1.555 C#CCCOCc1ccccc1I 7a_100000187465_100000688953 [0,2,0,0,0,0|1,0,1]=4 18507 B13R1.555 C#CCCOCc1ccccc1N 34a_100000212039_100000688953 [0,2,0,0,0,0|1,0,1]=4 18508 B13R1.555 C#CCCSCc1ccccc1Br 62a_100000184730_100000688953 [0,2,0,0,0,0|1,0,1]=4 18509 B13R1.555 C#CCCSCc1ccccc1Br 62a_100000688953_100000184730 [0,2,0,0,0,0|1,0,1]=4 18510 B13R1.555 C#CCCSCc1ccccc1C 62a_100000211839_100000688953 [0,2,0,0,0,0|1,0,1]=4 18511 B13R1.555 C#CCCSCc1ccccc1C 62a_100000688953_100000211839 [0,2,0,0,0,0|1,0,1]=4 18512 B13R1.555 C#CCCSCc1ccccc1Cl 62a_100000187162_100000688953 [0,2,0,0,0,0|1,0,1]=4 18513 B13R1.555 C#CCCSCc1ccccc1Cl 62a_100000688953_100000187162 [0,2,0,0,0,0|1,0,1]=4 18514 B13R1.555 C#CCCSCc1ccccc1F 62a_100000211605_100000688953 [0,2,0,0,0,0|1,0,1]=4 18515 B13R1.555 C#CCCSCc1ccccc1F 62a_100000688953_100000211605 [0,2,0,0,0,0|1,0,1]=4 18516 B13R1.555 C#CCCSCc1ccccc1I 62a_100000688953_100011216222 [0,2,0,0,0,0|1,0,1]=4 18517 B13R1.555 C#CCCSCc1ccccc1I 62a_100011216222_100000688953 [0,2,0,0,0,0|1,0,1]=4 18518 B13R1.555 C#CCNCCc1ccccc1Br 2230a_100000747383_100000038162 [0,2,0,0,0,0|1,0,1]=4 18519 B13R1.555 C#CCNCCc1ccccc1Br 34a_100000212058_100012161201 [0,2,0,0,0,0|1,0,1]=4 18520 B13R1.555 C#CCNCCc1ccccc1Br 34a_100000747383_100000184674 [0,2,0,0,0,0|1,0,1]=4 18521 B13R1.555 C#CCNCCc1ccccc1C 2230a_100000685071_100000038162 [0,2,0,0,0,0|1,0,1]=4 18522 B13R1.555 C#CCNCCc1ccccc1C 34a_100000212058_100011713688 [0,2,0,0,0,0|1,0,1]=4 18523 B13R1.555 C#CCNCCc1ccccc1C 34a_100000685071_100000184674 [0,2,0,0,0,0|1,0,1]=4 18524 B13R1.555 C#CCNCCc1ccccc1Cl 2230a_100011207228_100000038162 [0,2,0,0,0,0|1,0,1]=4 18525 B13R1.555 C#CCNCCc1ccccc1Cl 34a_100000212058_100011713703 [0,2,0,0,0,0|1,0,1]=4 18526 B13R1.555 C#CCNCCc1ccccc1Cl 34a_100011207228_100000184674 [0,2,0,0,0,0|1,0,1]=4 18527 B13R1.555 C#CCNCCc1ccccc1F 2230a_100000185272_100000038162 [0,2,0,0,0,0|1,0,1]=4 18528 B13R1.555 C#CCNCCc1ccccc1F 34a_100000185272_100000184674 [0,2,0,0,0,0|1,0,1]=4 18529 B13R1.555 C#CCNCCc1ccccc1F 34a_100000212058_100000720011 [0,2,0,0,0,0|1,0,1]=4 18530 B13R1.555 C#CCNCCc1ccccc1O 34a_100000212058_100000722297 [0,2,0,0,0,0|1,0,1]=4 18531 B13R1.555 C#CCNCCc1ccccc1O 34a_100011207237_100000184674 [0,2,0,0,0,0|1,0,1]=4 18532 B13R1.555 C#CCOCCc1ccccc1Br 34a_100000210247_100012161201 [0,2,0,0,0,0|1,0,1]=4 18533 B13R1.555 C#CCOCCc1ccccc1Br 34a_100000731337_100000184674 [0,2,0,0,0,0|1,0,1]=4 18534 B13R1.555 C#CCOCCc1ccccc1Br 7a_100000731337_100000038162 [0,2,0,0,0,0|1,0,1]=4 18535 B13R1.555 C#CCOCCc1ccccc1C 34a_100000210247_100011713688 [0,2,0,0,0,0|1,0,1]=4 18536 B13R1.555 C#CCOCCc1ccccc1C 34a_100011220023_100000184674 [0,2,0,0,0,0|1,0,1]=4 18537 B13R1.555 C#CCOCCc1ccccc1C 7a_100011220023_100000038162 [0,2,0,0,0,0|1,0,1]=4 18538 B13R1.555 C#CCOCCc1ccccc1Cl 34a_100000210247_100011713703 [0,2,0,0,0,0|1,0,1]=4 18539 B13R1.555 C#CCOCCc1ccccc1Cl 34a_100011215284_100000184674 [0,2,0,0,0,0|1,0,1]=4 18540 B13R1.555 C#CCOCCc1ccccc1Cl 7a_100011215284_100000038162 [0,2,0,0,0,0|1,0,1]=4 18541 B13R1.555 C#CCOCCc1ccccc1F 34a_100000210247_100000720011 [0,2,0,0,0,0|1,0,1]=4 18542 B13R1.555 C#CCOCCc1ccccc1F 34a_100000753711_100000184674 [0,2,0,0,0,0|1,0,1]=4 18543 B13R1.555 C#CCOCCc1ccccc1F 7a_100000753711_100000038162 [0,2,0,0,0,0|1,0,1]=4 18544 B13R1.555 C#CCOCCc1ccccc1I 34a_100010255290_100000184674 [0,2,0,0,0,0|1,0,1]=4 18545 B13R1.555 C#CCOCCc1ccccc1I 7a_100010255290_100000038162 [0,2,0,0,0,0|1,0,1]=4 18546 B13R1.555 C#CCOCCc1ccccc1N 34a_100011215289_100000184674 [0,2,0,0,0,0|1,0,1]=4 18547 B13R1.555 C#CCOCCc1ccccc1O 34a_100000210247_100000722297 [0,2,0,0,0,0|1,0,1]=4 18548 B13R1.555 C#CCSCCc1ccccc1Br 62a_100000038162_100012161201 [0,2,0,0,0,0|1,0,1]=4 18549 B13R1.555 C#CCSCCc1ccccc1C 62a_100000038162_100011713688 [0,2,0,0,0,0|1,0,1]=4 18550 B13R1.555 C#CCSCCc1ccccc1Cl 62a_100000038162_100011713703 [0,2,0,0,0,0|1,0,1]=4 18551 B13R1.555 C#CCSCCc1ccccc1F 62a_100000038162_100011713696 [0,2,0,0,0,0|1,0,1]=4 18552 B13R1.555 C#CCSCCc1ccccc1O 62a_100000038162_100000722297 [0,2,0,0,0,0|1,0,1]=4 18553 B13R1.555 C=CCCCNc1ccccc1Br 34a_100000210017_100000757094 [0,2,0,0,0,0|1,0,1]=4 18554 B13R1.555 C=CCCCNc1ccccc1C 34a_100015192222_100000757094 [0,2,0,0,0,0|1,0,1]=4 18555 B13R1.555 C=CCCCNc1ccccc1Cl 34a_100000185783_100000757094 [0,2,0,0,0,0|1,0,1]=4 18556 B13R1.555 C=CCCCNc1ccccc1F 34a_100000210422_100000757094 [0,2,0,0,0,0|1,0,1]=4 18557 B13R1.555 C=CCCCNc1ccccc1I 34a_100000210053_100000757094 [0,2,0,0,0,0|1,0,1]=4 18558 B13R1.555 C=CCCCNc1ccccc1O 34a_100000185747_100000757094 [0,2,0,0,0,0|1,0,1]=4 18559 B13R1.555 C=CCCCOc1ccccc1Br 34a_100000181306_100000757094 [0,2,0,0,0,0|1,0,1]=4 18560 B13R1.555 C=CCCCOc1ccccc1Br 7a_100000181306_100000757094 [0,2,0,0,0,0|1,0,1]=4 18561 B13R1.555 C=CCCCOc1ccccc1C 34a_100000210338_100000757094 [0,2,0,0,0,0|1,0,1]=4 18562 B13R1.555 C=CCCCOc1ccccc1C 7a_100000210338_100000757094 [0,2,0,0,0,0|1,0,1]=4 18563 B13R1.555 C=CCCCOc1ccccc1Cl 34a_100000210172_100000757094 [0,2,0,0,0,0|1,0,1]=4 18564 B13R1.555 C=CCCCOc1ccccc1Cl 7a_100000210172_100000757094 [0,2,0,0,0,0|1,0,1]=4 18565 B13R1.555 C=CCCCOc1ccccc1F 34a_100000210171_100000757094 [0,2,0,0,0,0|1,0,1]=4 18566 B13R1.555 C=CCCCOc1ccccc1F 7a_100000210171_100000757094 [0,2,0,0,0,0|1,0,1]=4 18567 B13R1.555 C=CCCCOc1ccccc1I 34a_100000739446_100000757094 [0,2,0,0,0,0|1,0,1]=4 18568 B13R1.555 C=CCCCOc1ccccc1I 7a_100000739446_100000757094 [0,2,0,0,0,0|1,0,1]=4 18569 B13R1.555 C=CCCCOc1ccccc1N 34a_100000185747_100000757094 [0,2,0,0,0,0|1,0,1]=4 18570 B13R1.555 C=CCCCOc1ccccc1N 7a_100000185747_100000757094 [0,2,0,0,0,0|1,0,1]=4 18571 B13R1.555 C=CCCCSc1ccccc1Br 62a_100000695589_100000757094 [0,2,0,0,0,0|1,0,1]=4 18572 B13R1.555 C=CCCCSc1ccccc1Br 62a_100011713584_100000695589 [0,2,0,0,0,0|1,0,1]=4 18573 B13R1.555 C=CCCCSc1ccccc1C 62a_100000210755_100000757094 [0,2,0,0,0,0|1,0,1]=4 18574 B13R1.555 C=CCCCSc1ccccc1C 62a_100011713584_100000210755 [0,2,0,0,0,0|1,0,1]=4 18575 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100000764095_100000757094 [0,2,0,0,0,0|1,0,1]=4 18576 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100011713584_100000764095 [0,2,0,0,0,0|1,0,1]=4 18577 B13R1.555 C=CCCCSc1ccccc1F 62a_100011215700_100000757094 [0,2,0,0,0,0|1,0,1]=4 18578 B13R1.555 C=CCCCSc1ccccc1F 62a_100011713584_100011215700 [0,2,0,0,0,0|1,0,1]=4 18579 B13R1.555 C=CCCCSc1ccccc1N 62a_100000210017_100000757094 [0,2,0,0,0,0|1,0,1]=4 18580 B13R1.555 C=CCCCSc1ccccc1N 62a_100011713584_100000210017 [0,2,0,0,0,0|1,0,1]=4 18581 B13R1.555 C=CCCCSc1ccccc1O 62a_100000739446_100000757094 [0,2,0,0,0,0|1,0,1]=4 18582 B13R1.555 C=CCCCSc1ccccc1O 62a_100011713584_100000739446 [0,2,0,0,0,0|1,0,1]=4 18583 B13R1.555 C=CCCNCc1ccccc1Br 207a_100015191253_100000211189 [0,2,0,0,0,0|1,0,1]=4 18584 B13R1.555 C=CCCNCc1ccccc1Br 2230a_100000689332_100000754431 [0,2,0,0,0,0|1,0,1]=4 18585 B13R1.555 C=CCCNCc1ccccc1Br 2230a_100015191253_100000184730 [0,2,0,0,0,0|1,0,1]=4 18586 B13R1.555 C=CCCNCc1ccccc1Br 270004a_100015191253_100000211189 [0,2,0,0,0,0|1,0,1]=4 18587 B13R1.555 C=CCCNCc1ccccc1Br 34a_100000689332_100000754431 [0,2,0,0,0,0|1,0,1]=4 18588 B13R1.555 C=CCCNCc1ccccc1C 207a_100015191253_100000211143 [0,2,0,0,0,0|1,0,1]=4 18589 B13R1.555 C=CCCNCc1ccccc1C 2230a_100015191253_100000211839 [0,2,0,0,0,0|1,0,1]=4 18590 B13R1.555 C=CCCNCc1ccccc1C 270004a_100015191253_100000211143 [0,2,0,0,0,0|1,0,1]=4 18591 B13R1.555 C=CCCNCc1ccccc1C 34a_100000174972_100000754431 [0,2,0,0,0,0|1,0,1]=4 18592 B13R1.555 C=CCCNCc1ccccc1Cl 207a_100015191253_100000210073 [0,2,0,0,0,0|1,0,1]=4 18593 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100000174879_100000754431 [0,2,0,0,0,0|1,0,1]=4 18594 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100015191253_100000187162 [0,2,0,0,0,0|1,0,1]=4 18595 B13R1.555 C=CCCNCc1ccccc1Cl 270004a_100015191253_100000210073 [0,2,0,0,0,0|1,0,1]=4 18596 B13R1.555 C=CCCNCc1ccccc1Cl 34a_100000174879_100000754431 [0,2,0,0,0,0|1,0,1]=4 18597 B13R1.555 C=CCCNCc1ccccc1F 207a_100015191253_100000210811 [0,2,0,0,0,0|1,0,1]=4 18598 B13R1.555 C=CCCNCc1ccccc1F 2230a_100015191253_100000211605 [0,2,0,0,0,0|1,0,1]=4 18599 B13R1.555 C=CCCNCc1ccccc1F 270004a_100015191253_100000210811 [0,2,0,0,0,0|1,0,1]=4 18600 B13R1.555 C=CCCNCc1ccccc1F 34a_100000174869_100000754431 [0,2,0,0,0,0|1,0,1]=4 18601 B13R1.555 C=CCCNCc1ccccc1I 207a_100015191253_100000010305 [0,2,0,0,0,0|1,0,1]=4 18602 B13R1.555 C=CCCNCc1ccccc1I 2230a_100015191253_100011215278 [0,2,0,0,0,0|1,0,1]=4 18603 B13R1.555 C=CCCNCc1ccccc1I 270004a_100015191253_100000010305 [0,2,0,0,0,0|1,0,1]=4 18604 B13R1.555 C=CCCNCc1ccccc1O 34a_100000185550_100000754431 [0,2,0,0,0,0|1,0,1]=4 18605 B13R1.555 C=CCCOCc1ccccc1Br 34a_100000756307_100000754431 [0,2,0,0,0,0|1,0,1]=4 18606 B13R1.555 C=CCCOCc1ccccc1Br 34a_100011205117_100000184730 [0,2,0,0,0,0|1,0,1]=4 18607 B13R1.555 C=CCCOCc1ccccc1Br 7a_100000756307_100000754431 [0,2,0,0,0,0|1,0,1]=4 18608 B13R1.555 C=CCCOCc1ccccc1C 34a_100000698903_100000754431 [0,2,0,0,0,0|1,0,1]=4 18609 B13R1.555 C=CCCOCc1ccccc1C 34a_100011205117_100000211839 [0,2,0,0,0,0|1,0,1]=4 18610 B13R1.555 C=CCCOCc1ccccc1C 7a_100000698903_100000754431 [0,2,0,0,0,0|1,0,1]=4 18611 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100000210847_100000754431 [0,2,0,0,0,0|1,0,1]=4 18612 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100011205117_100000187162 [0,2,0,0,0,0|1,0,1]=4 18613 B13R1.555 C=CCCOCc1ccccc1Cl 7a_100000210847_100000754431 [0,2,0,0,0,0|1,0,1]=4 18614 B13R1.555 C=CCCOCc1ccccc1F 34a_100000211962_100000754431 [0,2,0,0,0,0|1,0,1]=4 18615 B13R1.555 C=CCCOCc1ccccc1F 34a_100011205117_100000211605 [0,2,0,0,0,0|1,0,1]=4 18616 B13R1.555 C=CCCOCc1ccccc1F 7a_100000211962_100000754431 [0,2,0,0,0,0|1,0,1]=4 18617 B13R1.555 C=CCCOCc1ccccc1I 34a_100000187465_100000754431 [0,2,0,0,0,0|1,0,1]=4 18618 B13R1.555 C=CCCOCc1ccccc1I 34a_100011205117_100011215278 [0,2,0,0,0,0|1,0,1]=4 18619 B13R1.555 C=CCCOCc1ccccc1I 7a_100000187465_100000754431 [0,2,0,0,0,0|1,0,1]=4 18620 B13R1.555 C=CCCOCc1ccccc1N 34a_100000212039_100000754431 [0,2,0,0,0,0|1,0,1]=4 18621 B13R1.555 C=CCCSCc1ccccc1Br 62a_100000184730_100000754431 [0,2,0,0,0,0|1,0,1]=4 18622 B13R1.555 C=CCCSCc1ccccc1Br 62a_100000754431_100000184730 [0,2,0,0,0,0|1,0,1]=4 18623 B13R1.555 C=CCCSCc1ccccc1C 62a_100000211839_100000754431 [0,2,0,0,0,0|1,0,1]=4 18624 B13R1.555 C=CCCSCc1ccccc1C 62a_100000754431_100000211839 [0,2,0,0,0,0|1,0,1]=4 18625 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000187162_100000754431 [0,2,0,0,0,0|1,0,1]=4 18626 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000754431_100000187162 [0,2,0,0,0,0|1,0,1]=4 18627 B13R1.555 C=CCCSCc1ccccc1F 62a_100000211605_100000754431 [0,2,0,0,0,0|1,0,1]=4 18628 B13R1.555 C=CCCSCc1ccccc1F 62a_100000754431_100000211605 [0,2,0,0,0,0|1,0,1]=4 18629 B13R1.555 C=CCCSCc1ccccc1I 62a_100000754431_100011216222 [0,2,0,0,0,0|1,0,1]=4 18630 B13R1.555 C=CCCSCc1ccccc1I 62a_100011216222_100000754431 [0,2,0,0,0,0|1,0,1]=4 18631 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100000747383_100000210623 [0,2,0,0,0,0|1,0,1]=4 18632 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100020586998_100012161201 [0,2,0,0,0,0|1,0,1]=4 18633 B13R1.555 C=CCNCCc1ccccc1Br 34a_100000747383_100015514636 [0,2,0,0,0,0|1,0,1]=4 18634 B13R1.555 C=CCNCCc1ccccc1C 2230a_100000685071_100000210623 [0,2,0,0,0,0|1,0,1]=4 18635 B13R1.555 C=CCNCCc1ccccc1C 2230a_100020586998_100011713688 [0,2,0,0,0,0|1,0,1]=4 18636 B13R1.555 C=CCNCCc1ccccc1C 34a_100000685071_100015514636 [0,2,0,0,0,0|1,0,1]=4 18637 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100011207228_100000210623 [0,2,0,0,0,0|1,0,1]=4 18638 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100020586998_100011713703 [0,2,0,0,0,0|1,0,1]=4 18639 B13R1.555 C=CCNCCc1ccccc1Cl 270004a_100020586998_200011713468 [0,2,0,0,0,0|1,0,1]=4 18640 B13R1.555 C=CCNCCc1ccccc1Cl 34a_100011207228_100015514636 [0,2,0,0,0,0|1,0,1]=4 18641 B13R1.555 C=CCNCCc1ccccc1F 2230a_100000185272_100000210623 [0,2,0,0,0,0|1,0,1]=4 18642 B13R1.555 C=CCNCCc1ccccc1F 2230a_100020586998_100011713696 [0,2,0,0,0,0|1,0,1]=4 18643 B13R1.555 C=CCNCCc1ccccc1F 34a_100000185272_100015514636 [0,2,0,0,0,0|1,0,1]=4 18644 B13R1.555 C=CCNCCc1ccccc1O 34a_100011207237_100015514636 [0,2,0,0,0,0|1,0,1]=4 18645 B13R1.555 C=CCOCCc1ccccc1Br 34a_100000731337_100015514636 [0,2,0,0,0,0|1,0,1]=4 18646 B13R1.555 C=CCOCCc1ccccc1Br 34a_200000210373_100012161201 [0,2,0,0,0,0|1,0,1]=4 18647 B13R1.555 C=CCOCCc1ccccc1Br 7a_100000731337_100015514636 [0,2,0,0,0,0|1,0,1]=4 18648 B13R1.555 C=CCOCCc1ccccc1C 34a_100011220023_100015514636 [0,2,0,0,0,0|1,0,1]=4 18649 B13R1.555 C=CCOCCc1ccccc1C 34a_200000210373_100011713688 [0,2,0,0,0,0|1,0,1]=4 18650 B13R1.555 C=CCOCCc1ccccc1C 7a_100011220023_100015514636 [0,2,0,0,0,0|1,0,1]=4 18651 B13R1.555 C=CCOCCc1ccccc1Cl 34a_100011215284_100015514636 [0,2,0,0,0,0|1,0,1]=4 18652 B13R1.555 C=CCOCCc1ccccc1Cl 34a_200000210373_100011713703 [0,2,0,0,0,0|1,0,1]=4 18653 B13R1.555 C=CCOCCc1ccccc1Cl 7a_100011215284_100015514636 [0,2,0,0,0,0|1,0,1]=4 18654 B13R1.555 C=CCOCCc1ccccc1F 34a_100000753711_100015514636 [0,2,0,0,0,0|1,0,1]=4 18655 B13R1.555 C=CCOCCc1ccccc1F 34a_200000210373_100000720011 [0,2,0,0,0,0|1,0,1]=4 18656 B13R1.555 C=CCOCCc1ccccc1F 7a_100000753711_100015514636 [0,2,0,0,0,0|1,0,1]=4 18657 B13R1.555 C=CCOCCc1ccccc1I 34a_100010255290_100015514636 [0,2,0,0,0,0|1,0,1]=4 18658 B13R1.555 C=CCOCCc1ccccc1I 7a_100010255290_100015514636 [0,2,0,0,0,0|1,0,1]=4 18659 B13R1.555 C=CCOCCc1ccccc1N 34a_100011215289_100015514636 [0,2,0,0,0,0|1,0,1]=4 18660 B13R1.555 C=CCOCCc1ccccc1O 34a_200000210373_100000722297 [0,2,0,0,0,0|1,0,1]=4 18661 B13R1.555 C=CCSCCc1ccccc1Br 62a_100000210623_100012161201 [0,2,0,0,0,0|1,0,1]=4 18662 B13R1.555 C=CCSCCc1ccccc1Br 62a_100012161201_100000210623 [0,2,0,0,0,0|1,0,1]=4 18663 B13R1.555 C=CCSCCc1ccccc1C 62a_100000210623_100011713688 [0,2,0,0,0,0|1,0,1]=4 18664 B13R1.555 C=CCSCCc1ccccc1C 62a_100011713688_100000210623 [0,2,0,0,0,0|1,0,1]=4 18665 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100000210623_100011713703 [0,2,0,0,0,0|1,0,1]=4 18666 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100011713703_100000210623 [0,2,0,0,0,0|1,0,1]=4 18667 B13R1.555 C=CCSCCc1ccccc1F 62a_100000210623_100011713696 [0,2,0,0,0,0|1,0,1]=4 18668 B13R1.555 C=CCSCCc1ccccc1F 62a_100011713696_100000210623 [0,2,0,0,0,0|1,0,1]=4 18669 B13R1.555 C=CCSCCc1ccccc1O 62a_100000210623_100000722297 [0,2,0,0,0,0|1,0,1]=4 18670 B13R1.555 C=CCSCCc1ccccc1O 62a_100000722297_100000210623 [0,2,0,0,0,0|1,0,1]=4 18671 B13R1.555 CCCCC=Cc1ccccc1Br 271570a_100016275911_100000695589 [0,2,0,0,0,0|1,0,1]=4 18672 B13R1.555 CCCCC=Cc1ccccc1C 271570a_100016275911_100000210755 [0,2,0,0,0,0|1,0,1]=4 18673 B13R1.555 CCCCC=Cc1ccccc1Cl 271570a_100016275911_100000764095 [0,2,0,0,0,0|1,0,1]=4 18674 B13R1.555 CCCCC=Cc1ccccc1F 271570a_100016275911_100011215700 [0,2,0,0,0,0|1,0,1]=4 18675 B13R1.555 CCCCC=Cc1ccccc1N 271570a_100016275911_100000210017 [0,2,0,0,0,0|1,0,1]=4 18676 B13R1.555 CCCCC=Cc1ccccc1O 271570a_100016275911_100000739446 [0,2,0,0,0,0|1,0,1]=4 18677 B13R1.555 CCCCCNc1ccccc1Br 34a_100000210017_100000718602 [0,2,0,0,0,0|1,0,0]=3 18678 B13R1.555 CCCCCNc1ccccc1C 34a_100015192222_100000718602 [0,2,0,0,0,0|1,0,0]=3 18679 B13R1.555 CCCCCNc1ccccc1Cl 34a_100000185783_100000718602 [0,2,0,0,0,0|1,0,0]=3 18680 B13R1.555 CCCCCNc1ccccc1F 34a_100000210422_100000718602 [0,2,0,0,0,0|1,0,0]=3 18681 B13R1.555 CCCCCNc1ccccc1I 34a_100000210053_100000718602 [0,2,0,0,0,0|1,0,0]=3 18682 B13R1.555 CCCCCNc1ccccc1O 34a_100000185747_100000718602 [0,2,0,0,0,0|1,0,0]=3 18683 B13R1.555 CCCCCNc1ccncc1Br 27a_100000209983_100000726257 [0,2,0,0,0,0|2,0,0]=4 18684 B13R1.555 CCCCCNc1ccncc1C 27a_100000209983_100000765111 [0,2,0,0,0,0|2,0,0]=4 18685 B13R1.555 CCCCCNc1ccncc1F 27a_100000209983_100000035921 [0,2,0,0,0,0|2,0,0]=4 18686 B13R1.555 CCCCCNc1ncccc1Br 27a_100000209983_100000696092 [0,2,0,0,0,0|2,0,0]=4 18687 B13R1.555 CCCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210326 [0,2,0,0,0,0|2,0,0]=4 18688 B13R1.555 CCCCCOc1ccccc1Br 34a_100000181306_100000718602 [0,2,0,0,0,0|1,0,0]=3 18689 B13R1.555 CCCCCOc1ccccc1Br 7a_100000181306_100000210326 [0,2,0,0,0,0|1,0,0]=3 18690 B13R1.555 CCCCCOc1ccccc1C 34a_100000210338_100000718602 [0,2,0,0,0,0|1,0,0]=3 18691 B13R1.555 CCCCCOc1ccccc1C 7a_100000210338_100000210326 [0,2,0,0,0,0|1,0,0]=3 18692 B13R1.555 CCCCCOc1ccccc1Cl 34a_100000210172_100000718602 [0,2,0,0,0,0|1,0,0]=3 18693 B13R1.555 CCCCCOc1ccccc1Cl 7a_100000210172_100000210326 [0,2,0,0,0,0|1,0,0]=3 18694 B13R1.555 CCCCCOc1ccccc1F 34a_100000210171_100000718602 [0,2,0,0,0,0|1,0,0]=3 18695 B13R1.555 CCCCCOc1ccccc1F 7a_100000210171_100000210326 [0,2,0,0,0,0|1,0,0]=3 18696 B13R1.555 CCCCCOc1ccccc1I 34a_100000739446_100000718602 [0,2,0,0,0,0|1,0,0]=3 18697 B13R1.555 CCCCCOc1ccccc1I 7a_100000739446_100000210326 [0,2,0,0,0,0|1,0,0]=3 18698 B13R1.555 CCCCCOc1ccccc1N 34a_100000185747_100000718602 [0,2,0,0,0,0|1,0,0]=3 18699 B13R1.555 CCCCCOc1ccccc1N 7a_100000185747_100000210326 [0,2,0,0,0,0|1,0,0]=3 18700 B13R1.555 CCCCCOc1cccnc1Br 34a_100000744436_100000718602 [0,2,0,0,0,0|2,0,0]=4 18701 B13R1.555 CCCCCOc1cccnc1Br 7a_100000744436_100000210326 [0,2,0,0,0,0|2,0,0]=4 18702 B13R1.555 CCCCCOc1cccnc1C 34a_100000745507_100000718602 [0,2,0,0,0,0|2,0,0]=4 18703 B13R1.555 CCCCCOc1cccnc1C 7a_100000745507_100000210326 [0,2,0,0,0,0|2,0,0]=4 18704 B13R1.555 CCCCCOc1cccnc1Cl 34a_100000757616_100000718602 [0,2,0,0,0,0|2,0,0]=4 18705 B13R1.555 CCCCCOc1cccnc1Cl 7a_100000757616_100000210326 [0,2,0,0,0,0|2,0,0]=4 18706 B13R1.555 CCCCCOc1cccnc1F 34a_100000061740_100000718602 [0,2,0,0,0,0|2,0,0]=4 18707 B13R1.555 CCCCCOc1cccnc1F 7a_100000061740_100000210326 [0,2,0,0,0,0|2,0,0]=4 18708 B13R1.555 CCCCCOc1cccnc1I 34a_100000034122_100000718602 [0,2,0,0,0,0|2,0,0]=4 18709 B13R1.555 CCCCCOc1cccnc1I 7a_100000034122_100000210326 [0,2,0,0,0,0|2,0,0]=4 18710 B13R1.555 CCCCCOc1cccnc1N 34a_100000211975_100000718602 [0,2,0,0,0,0|2,0,0]=4 18711 B13R1.555 CCCCCOc1cccnc1N 7a_100000211975_100000210326 [0,2,0,0,0,0|2,0,0]=4 18712 B13R1.555 CCCCCOc1cccoc1=O 34a_100000077404_100000718602 [0,2,0,0,0,0|2,0,0]=4 18713 B13R1.555 CCCCCOc1cccoc1=O 7a_100000077404_100000210326 [0,2,0,0,0,0|2,0,0]=4 18714 B13R1.555 CCCCCOc1ccncc1Br 34a_100011996408_100000718602 [0,2,0,0,0,0|2,0,0]=4 18715 B13R1.555 CCCCCOc1ccncc1C 34a_100000694293_100000718602 [0,2,0,0,0,0|2,0,0]=4 18716 B13R1.555 CCCCCOc1ccncc1Cl 34a_100011997054_100000718602 [0,2,0,0,0,0|2,0,0]=4 18717 B13R1.555 CCCCCOc1ccncc1F 34a_200000081243_100000718602 [0,2,0,0,0,0|2,0,0]=4 18718 B13R1.555 CCCCCOc1cnccc1C 34a_100011997053_100000718602 [0,2,0,0,0,0|2,0,0]=4 18719 B13R1.555 CCCCCOc1cnccc1C 7a_100011997053_100000210326 [0,2,0,0,0,0|2,0,0]=4 18720 B13R1.555 CCCCCOc1cnccc1Cl 34a_100011996695_100000718602 [0,2,0,0,0,0|2,0,0]=4 18721 B13R1.555 CCCCCOc1cnccc1I 34a_100000050107_100000718602 [0,2,0,0,0,0|2,0,0]=4 18722 B13R1.555 CCCCCOc1cnccc1N 34a_100000753702_100000718602 [0,2,0,0,0,0|2,0,0]=4 18723 B13R1.555 CCCCCOc1coccc1=O 34a_100000060831_100000718602 [0,2,0,0,0,0|2,0,0]=4 18724 B13R1.555 CCCCCOc1ncccc1Cl 34a_100011290957_100000718602 [0,2,0,0,0,0|2,0,0]=4 18725 B13R1.555 CCCCCOc1ncccc1F 34a_100011219419_100000718602 [0,2,0,0,0,0|2,0,0]=4 18726 B13R1.555 CCCCCOc1ncccc1N 34a_100000746358_100000718602 [0,2,0,0,0,0|2,0,0]=4 18727 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100000210326_100009998708 [0,2,0,0,0,0|2,0,0]=4 18728 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100009998708_100000210326 [0,2,0,0,0,0|2,0,0]=4 18729 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_100000210326_200012280681 [0,2,0,0,0,0|2,0,0]=4 18730 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210326 [0,2,0,0,0,0|2,0,0]=4 18731 B13R1.555 CCCCCSc1cccc[n+]1C 62a_100000210326_100000212160 [0,2,0,0,0,0|2,0,0]=4 18732 B13R1.555 CCCCCSc1cccc[n+]1[O-] 62a_100000210326_200000042595 [0,2,0,0,0,0|2,0,0]=4 18733 B13R1.555 CCCCCSc1ccccc1Br 62a_100000210326_100000695589 [0,2,0,0,0,0|1,0,0]=3 18734 B13R1.555 CCCCCSc1ccccc1Br 62a_100000695589_100000210326 [0,2,0,0,0,0|1,0,0]=3 18735 B13R1.555 CCCCCSc1ccccc1C 62a_100000210326_100000210755 [0,2,0,0,0,0|1,0,0]=3 18736 B13R1.555 CCCCCSc1ccccc1C 62a_100000210755_100000210326 [0,2,0,0,0,0|1,0,0]=3 18737 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000210326_100000764095 [0,2,0,0,0,0|1,0,0]=3 18738 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000764095_100000210326 [0,2,0,0,0,0|1,0,0]=3 18739 B13R1.555 CCCCCSc1ccccc1F 62a_100000210326_100011215700 [0,2,0,0,0,0|1,0,0]=3 18740 B13R1.555 CCCCCSc1ccccc1F 62a_100011215700_100000210326 [0,2,0,0,0,0|1,0,0]=3 18741 B13R1.555 CCCCCSc1ccccc1N 62a_100000210017_100000210326 [0,2,0,0,0,0|1,0,0]=3 18742 B13R1.555 CCCCCSc1ccccc1N 62a_100000210326_100000210017 [0,2,0,0,0,0|1,0,0]=3 18743 B13R1.555 CCCCCSc1ccccc1O 62a_100000210326_100000739446 [0,2,0,0,0,0|1,0,0]=3 18744 B13R1.555 CCCCCSc1ccccc1O 62a_100000739446_100000210326 [0,2,0,0,0,0|1,0,0]=3 18745 B13R1.555 CCCCCSc1cccnc1Br 62a_100000210326_100010202626 [0,2,0,0,0,0|2,0,0]=4 18746 B13R1.555 CCCCCSc1cccnc1Br 62a_100010202626_100000210326 [0,2,0,0,0,0|2,0,0]=4 18747 B13R1.555 CCCCCSc1cccnc1C 62a_100000210326_100000751574 [0,2,0,0,0,0|2,0,0]=4 18748 B13R1.555 CCCCCSc1cccnc1C 62a_100000751574_100000210326 [0,2,0,0,0,0|2,0,0]=4 18749 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000036424_100000210326 [0,2,0,0,0,0|2,0,0]=4 18750 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000210326_100000036424 [0,2,0,0,0,0|2,0,0]=4 18751 B13R1.555 CCCCCSc1cccnc1F 62a_100000210326_100009816115 [0,2,0,0,0,0|2,0,0]=4 18752 B13R1.555 CCCCCSc1cccnc1F 62a_100009816115_100000210326 [0,2,0,0,0,0|2,0,0]=4 18753 B13R1.555 CCCCCSc1cccnc1N 62a_100000045569_100000210326 [0,2,0,0,0,0|2,0,0]=4 18754 B13R1.555 CCCCCSc1cccnc1N 62a_100000210326_100000045569 [0,2,0,0,0,0|2,0,0]=4 18755 B13R1.555 CCCCCSc1cccnc1O 62a_100000210326_100000760158 [0,2,0,0,0,0|2,0,0]=4 18756 B13R1.555 CCCCCSc1cccnc1O 62a_100000760158_100000210326 [0,2,0,0,0,0|2,0,0]=4 18757 B13R1.555 CCCCCSc1ccncc1Br 62a_100000210326_100000726257 [0,2,0,0,0,0|2,0,0]=4 18758 B13R1.555 CCCCCSc1ccncc1Br 62a_100000726257_100000210326 [0,2,0,0,0,0|2,0,0]=4 18759 B13R1.555 CCCCCSc1ccncc1C 62a_100000210326_100000765111 [0,2,0,0,0,0|2,0,0]=4 18760 B13R1.555 CCCCCSc1ccncc1C 62a_100000765111_100000210326 [0,2,0,0,0,0|2,0,0]=4 18761 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000210326_100000708259 [0,2,0,0,0,0|2,0,0]=4 18762 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000708259_100000210326 [0,2,0,0,0,0|2,0,0]=4 18763 B13R1.555 CCCCCSc1ccncc1F 62a_100000047030_100000210326 [0,2,0,0,0,0|2,0,0]=4 18764 B13R1.555 CCCCCSc1ccncc1F 62a_100000210326_100000047030 [0,2,0,0,0,0|2,0,0]=4 18765 B13R1.555 CCCCCSc1ccncc1N 62a_100000210326_100000756074 [0,2,0,0,0,0|2,0,0]=4 18766 B13R1.555 CCCCCSc1ccncc1N 62a_100000756074_100000210326 [0,2,0,0,0,0|2,0,0]=4 18767 B13R1.555 CCCCCSc1ccncc1O 62a_100000210326_100009817591 [0,2,0,0,0,0|2,0,0]=4 18768 B13R1.555 CCCCCSc1ccncc1O 62a_100009817591_100000210326 [0,2,0,0,0,0|2,0,0]=4 18769 B13R1.555 CCCCCSc1cnccc1Br 62a_100000210326_100010138639 [0,2,0,0,0,0|2,0,0]=4 18770 B13R1.555 CCCCCSc1cnccc1Br 62a_100010138639_100000210326 [0,2,0,0,0,0|2,0,0]=4 18771 B13R1.555 CCCCCSc1cnccc1C 62a_100000210326_100000761580 [0,2,0,0,0,0|2,0,0]=4 18772 B13R1.555 CCCCCSc1cnccc1C 62a_100000761580_100000210326 [0,2,0,0,0,0|2,0,0]=4 18773 B13R1.555 CCCCCSc1cnccc1Cl 62a_100000210326_100009995489 [0,2,0,0,0,0|2,0,0]=4 18774 B13R1.555 CCCCCSc1cnccc1Cl 62a_100009995489_100000210326 [0,2,0,0,0,0|2,0,0]=4 18775 B13R1.555 CCCCCSc1cnccc1F 62a_100000210326_100009820683 [0,2,0,0,0,0|2,0,0]=4 18776 B13R1.555 CCCCCSc1cnccc1F 62a_100009820683_100000210326 [0,2,0,0,0,0|2,0,0]=4 18777 B13R1.555 CCCCCSc1cnccc1N 62a_100000047001_100000210326 [0,2,0,0,0,0|2,0,0]=4 18778 B13R1.555 CCCCCSc1cnccc1N 62a_100000210326_100000047001 [0,2,0,0,0,0|2,0,0]=4 18779 B13R1.555 CCCCCSc1ncccc1Br 62a_100000210326_100000696092 [0,2,0,0,0,0|2,0,0]=4 18780 B13R1.555 CCCCCSc1ncccc1Br 62a_100000696092_100000210326 [0,2,0,0,0,0|2,0,0]=4 18781 B13R1.555 CCCCCSc1ncccc1C 62a_100000210326_100000751373 [0,2,0,0,0,0|2,0,0]=4 18782 B13R1.555 CCCCCSc1ncccc1C 62a_100000751373_100000210326 [0,2,0,0,0,0|2,0,0]=4 18783 B13R1.555 CCCCCSc1ncccc1Cl 62a_100000210326_100011356963 [0,2,0,0,0,0|2,0,0]=4 18784 B13R1.555 CCCCCSc1ncccc1Cl 62a_100011356963_100000210326 [0,2,0,0,0,0|2,0,0]=4 18785 B13R1.555 CCCCCSc1ncccc1F 62a_100000210326_100000685392 [0,2,0,0,0,0|2,0,0]=4 18786 B13R1.555 CCCCCSc1ncccc1F 62a_100000685392_100000210326 [0,2,0,0,0,0|2,0,0]=4 18787 B13R1.555 CCCCCSc1ncccc1N 62a_100000210326_100000688686 [0,2,0,0,0,0|2,0,0]=4 18788 B13R1.555 CCCCCSc1ncccc1N 62a_100000688686_100000210326 [0,2,0,0,0,0|2,0,0]=4 18789 B13R1.555 CCCCCSc1ncccc1O 62a_100000034122_100000210326 [0,2,0,0,0,0|2,0,0]=4 18790 B13R1.555 CCCCCSc1ncccc1O 62a_100000210326_100000034122 [0,2,0,0,0,0|2,0,0]=4 18791 B13R1.555 CCCCNCc1ccccc1Br 207a_100000102301_100000211189 [0,2,0,0,0,0|1,0,0]=3 18792 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000102301_100000184730 [0,2,0,0,0,0|1,0,0]=3 18793 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000689332_100000210211 [0,2,0,0,0,0|1,0,0]=3 18794 B13R1.555 CCCCNCc1ccccc1Br 270004a_100000102301_100000211189 [0,2,0,0,0,0|1,0,0]=3 18795 B13R1.555 CCCCNCc1ccccc1Br 34a_100000689332_100000210210 [0,2,0,0,0,0|1,0,0]=3 18796 B13R1.555 CCCCNCc1ccccc1Br 7a_106832991798_100000184730 [0,2,0,0,0,0|1,0,0]=3 18797 B13R1.555 CCCCNCc1ccccc1C 207a_100000102301_100000211143 [0,2,0,0,0,0|1,0,0]=3 18798 B13R1.555 CCCCNCc1ccccc1C 2230a_100000102301_100000211839 [0,2,0,0,0,0|1,0,0]=3 18799 B13R1.555 CCCCNCc1ccccc1C 270004a_100000102301_100000211143 [0,2,0,0,0,0|1,0,0]=3 18800 B13R1.555 CCCCNCc1ccccc1C 34a_100000174972_100000210210 [0,2,0,0,0,0|1,0,0]=3 18801 B13R1.555 CCCCNCc1ccccc1C 7a_106832991798_100000211839 [0,2,0,0,0,0|1,0,0]=3 18802 B13R1.555 CCCCNCc1ccccc1Cl 207a_100000102301_100000210073 [0,2,0,0,0,0|1,0,0]=3 18803 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000102301_100000187162 [0,2,0,0,0,0|1,0,0]=3 18804 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000174879_100000210211 [0,2,0,0,0,0|1,0,0]=3 18805 B13R1.555 CCCCNCc1ccccc1Cl 270004a_100000102301_100000210073 [0,2,0,0,0,0|1,0,0]=3 18806 B13R1.555 CCCCNCc1ccccc1Cl 34a_100000174879_100000210210 [0,2,0,0,0,0|1,0,0]=3 18807 B13R1.555 CCCCNCc1ccccc1Cl 7a_106832991798_100000187162 [0,2,0,0,0,0|1,0,0]=3 18808 B13R1.555 CCCCNCc1ccccc1F 207a_100000102301_100000210811 [0,2,0,0,0,0|1,0,0]=3 18809 B13R1.555 CCCCNCc1ccccc1F 2230a_100000102301_100000211605 [0,2,0,0,0,0|1,0,0]=3 18810 B13R1.555 CCCCNCc1ccccc1F 270004a_100000102301_100000210811 [0,2,0,0,0,0|1,0,0]=3 18811 B13R1.555 CCCCNCc1ccccc1F 34a_100000174869_100000210210 [0,2,0,0,0,0|1,0,0]=3 18812 B13R1.555 CCCCNCc1ccccc1F 7a_106832991798_100000211605 [0,2,0,0,0,0|1,0,0]=3 18813 B13R1.555 CCCCNCc1ccccc1I 207a_100000102301_100000010305 [0,2,0,0,0,0|1,0,0]=3 18814 B13R1.555 CCCCNCc1ccccc1I 2230a_100000102301_100011215278 [0,2,0,0,0,0|1,0,0]=3 18815 B13R1.555 CCCCNCc1ccccc1I 270004a_100000102301_100000010305 [0,2,0,0,0,0|1,0,0]=3 18816 B13R1.555 CCCCNCc1ccccc1I 7a_106832991798_100011215278 [0,2,0,0,0,0|1,0,0]=3 18817 B13R1.555 CCCCNCc1ccccc1O 34a_100000185550_100000210210 [0,2,0,0,0,0|1,0,0]=3 18818 B13R1.555 CCCCNCc1cccnc1Br 2230a_100000102301_100010140945 [0,2,0,0,0,0|2,0,0]=4 18819 B13R1.555 CCCCNCc1cccnc1Br 2230a_100009818023_100000210211 [0,2,0,0,0,0|2,0,0]=4 18820 B13R1.555 CCCCNCc1cccnc1Br 34a_100009818023_100000210210 [0,2,0,0,0,0|2,0,0]=4 18821 B13R1.555 CCCCNCc1cccnc1Br 7a_106832991798_100010140945 [0,2,0,0,0,0|2,0,0]=4 18822 B13R1.555 CCCCNCc1cccnc1C 207a_100000102301_100000751968 [0,2,0,0,0,0|2,0,0]=4 18823 B13R1.555 CCCCNCc1cccnc1C 2230a_100000102301_100000732876 [0,2,0,0,0,0|2,0,0]=4 18824 B13R1.555 CCCCNCc1cccnc1C 270004a_100000102301_100000751968 [0,2,0,0,0,0|2,0,0]=4 18825 B13R1.555 CCCCNCc1cccnc1C 7a_106832991798_100000732876 [0,2,0,0,0,0|2,0,0]=4 18826 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100000102301_100000045678 [0,2,0,0,0,0|2,0,0]=4 18827 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100015189234_100000210211 [0,2,0,0,0,0|2,0,0]=4 18828 B13R1.555 CCCCNCc1cccnc1Cl 34a_100015189234_100000210210 [0,2,0,0,0,0|2,0,0]=4 18829 B13R1.555 CCCCNCc1cccnc1Cl 7a_106832991798_100000045678 [0,2,0,0,0,0|2,0,0]=4 18830 B13R1.555 CCCCNCc1cccnc1F 2230a_100000102301_100000099810 [0,2,0,0,0,0|2,0,0]=4 18831 B13R1.555 CCCCNCc1cccnc1F 34a_100000724633_100000210210 [0,2,0,0,0,0|2,0,0]=4 18832 B13R1.555 CCCCNCc1cccnc1F 7a_106832991798_100000099810 [0,2,0,0,0,0|2,0,0]=4 18833 B13R1.555 CCCCNCc1cccnc1O 207a_100000102301_100011998315 [0,2,0,0,0,0|2,0,0]=4 18834 B13R1.555 CCCCNCc1cccnc1O 270004a_100000102301_100011998315 [0,2,0,0,0,0|2,0,0]=4 18835 B13R1.555 CCCCNCc1ccncc1Br 270004a_100000102301_100000755692 [0,2,0,0,0,0|2,0,0]=4 18836 B13R1.555 CCCCNCc1ccncc1C 2230a_100000102301_100020672808 [0,2,0,0,0,0|2,0,0]=4 18837 B13R1.555 CCCCNCc1ccncc1C 7a_106832991798_100020672808 [0,2,0,0,0,0|2,0,0]=4 18838 B13R1.555 CCCCNCc1ccncc1Cl 207a_100000102301_100011934409 [0,2,0,0,0,0|2,0,0]=4 18839 B13R1.555 CCCCNCc1ccncc1Cl 2230a_100000102301_100000763264 [0,2,0,0,0,0|2,0,0]=4 18840 B13R1.555 CCCCNCc1ccncc1Cl 270004a_100000102301_100011934409 [0,2,0,0,0,0|2,0,0]=4 18841 B13R1.555 CCCCNCc1ccncc1Cl 7a_106832991798_100000763264 [0,2,0,0,0,0|2,0,0]=4 18842 B13R1.555 CCCCNCc1ccncc1F 34a_100011935246_100000210210 [0,2,0,0,0,0|2,0,0]=4 18843 B13R1.555 CCCCNCc1cnccc1Br 270004a_100000102301_100009816821 [0,2,0,0,0,0|2,0,0]=4 18844 B13R1.555 CCCCNCc1cnccc1C 207a_100000102301_100000685662 [0,2,0,0,0,0|2,0,0]=4 18845 B13R1.555 CCCCNCc1cnccc1C 2230a_100000102301_100000690890 [0,2,0,0,0,0|2,0,0]=4 18846 B13R1.555 CCCCNCc1cnccc1C 270004a_100000102301_100000685662 [0,2,0,0,0,0|2,0,0]=4 18847 B13R1.555 CCCCNCc1cnccc1C 7a_106832991798_100000690890 [0,2,0,0,0,0|2,0,0]=4 18848 B13R1.555 CCCCNCc1cnccc1Cl 270004a_100000102301_100000050567 [0,2,0,0,0,0|2,0,0]=4 18849 B13R1.555 CCCCNCc1ncccc1Br 207a_100000102301_100011934733 [0,2,0,0,0,0|2,0,0]=4 18850 B13R1.555 CCCCNCc1ncccc1Br 2230a_100000102301_100025702911 [0,2,0,0,0,0|2,0,0]=4 18851 B13R1.555 CCCCNCc1ncccc1Br 270004a_100000102301_100011934733 [0,2,0,0,0,0|2,0,0]=4 18852 B13R1.555 CCCCNCc1ncccc1Br 7a_106832991798_100025702911 [0,2,0,0,0,0|2,0,0]=4 18853 B13R1.555 CCCCNCc1ncccc1C 207a_100000102301_100000698913 [0,2,0,0,0,0|2,0,0]=4 18854 B13R1.555 CCCCNCc1ncccc1C 2230a_100000102301_100000696600 [0,2,0,0,0,0|2,0,0]=4 18855 B13R1.555 CCCCNCc1ncccc1C 270004a_100000102301_100000698913 [0,2,0,0,0,0|2,0,0]=4 18856 B13R1.555 CCCCNCc1ncccc1C 34a_100011223789_100000210210 [0,2,0,0,0,0|2,0,0]=4 18857 B13R1.555 CCCCNCc1ncccc1C 7a_106832991798_100000696600 [0,2,0,0,0,0|2,0,0]=4 18858 B13R1.555 CCCCNCc1ncccc1Cl 207a_100000102301_100012001307 [0,2,0,0,0,0|2,0,0]=4 18859 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100000102301_100000099807 [0,2,0,0,0,0|2,0,0]=4 18860 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100015189233_100000210211 [0,2,0,0,0,0|2,0,0]=4 18861 B13R1.555 CCCCNCc1ncccc1Cl 270004a_100000102301_100012001307 [0,2,0,0,0,0|2,0,0]=4 18862 B13R1.555 CCCCNCc1ncccc1Cl 7a_106832991798_100000099807 [0,2,0,0,0,0|2,0,0]=4 18863 B13R1.555 CCCCNCc1ncccc1F 207a_100000102301_100011934734 [0,2,0,0,0,0|2,0,0]=4 18864 B13R1.555 CCCCNCc1ncccc1F 2230a_100000102301_100000104219 [0,2,0,0,0,0|2,0,0]=4 18865 B13R1.555 CCCCNCc1ncccc1F 270004a_100000102301_100011934734 [0,2,0,0,0,0|2,0,0]=4 18866 B13R1.555 CCCCNCc1ncccc1F 34a_100000690088_100000210210 [0,2,0,0,0,0|2,0,0]=4 18867 B13R1.555 CCCCNCc1ncccc1F 7a_106832991798_100000104219 [0,2,0,0,0,0|2,0,0]=4 18868 B13R1.555 CCCCNCc1ncccc1O 7a_106832991798_200020655725 [0,2,0,0,0,0|2,0,0]=4 18869 B13R1.555 CCCCOCc1ccccc1Br 34a_100000210227_100000184730 [0,2,0,0,0,0|1,0,0]=3 18870 B13R1.555 CCCCOCc1ccccc1Br 34a_100000756307_100000210210 [0,2,0,0,0,0|1,0,0]=3 18871 B13R1.555 CCCCOCc1ccccc1Br 7a_100000210227_100000184730 [0,2,0,0,0,0|1,0,0]=3 18872 B13R1.555 CCCCOCc1ccccc1Br 7a_100000756307_100000210211 [0,2,0,0,0,0|1,0,0]=3 18873 B13R1.555 CCCCOCc1ccccc1C 34a_100000210227_100000211839 [0,2,0,0,0,0|1,0,0]=3 18874 B13R1.555 CCCCOCc1ccccc1C 34a_100000698903_100000210210 [0,2,0,0,0,0|1,0,0]=3 18875 B13R1.555 CCCCOCc1ccccc1C 7a_100000210227_100000211839 [0,2,0,0,0,0|1,0,0]=3 18876 B13R1.555 CCCCOCc1ccccc1C 7a_100000698903_100000210211 [0,2,0,0,0,0|1,0,0]=3 18877 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210227_100000187162 [0,2,0,0,0,0|1,0,0]=3 18878 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210847_100000210210 [0,2,0,0,0,0|1,0,0]=3 18879 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210227_100000187162 [0,2,0,0,0,0|1,0,0]=3 18880 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210847_100000210211 [0,2,0,0,0,0|1,0,0]=3 18881 B13R1.555 CCCCOCc1ccccc1F 34a_100000210227_100000211605 [0,2,0,0,0,0|1,0,0]=3 18882 B13R1.555 CCCCOCc1ccccc1F 34a_100000211962_100000210210 [0,2,0,0,0,0|1,0,0]=3 18883 B13R1.555 CCCCOCc1ccccc1F 7a_100000210227_100000211605 [0,2,0,0,0,0|1,0,0]=3 18884 B13R1.555 CCCCOCc1ccccc1F 7a_100000211962_100000210211 [0,2,0,0,0,0|1,0,0]=3 18885 B13R1.555 CCCCOCc1ccccc1I 34a_100000187465_100000210210 [0,2,0,0,0,0|1,0,0]=3 18886 B13R1.555 CCCCOCc1ccccc1I 34a_100000210227_100011215278 [0,2,0,0,0,0|1,0,0]=3 18887 B13R1.555 CCCCOCc1ccccc1I 7a_100000187465_100000210211 [0,2,0,0,0,0|1,0,0]=3 18888 B13R1.555 CCCCOCc1ccccc1I 7a_100000210227_100011215278 [0,2,0,0,0,0|1,0,0]=3 18889 B13R1.555 CCCCOCc1ccccc1N 34a_100000212039_100000210210 [0,2,0,0,0,0|1,0,0]=3 18890 B13R1.555 CCCCOCc1cccnc1Br 34a_100000210227_100010140945 [0,2,0,0,0,0|2,0,0]=4 18891 B13R1.555 CCCCOCc1cccnc1Br 34a_100000719692_100000210210 [0,2,0,0,0,0|2,0,0]=4 18892 B13R1.555 CCCCOCc1cccnc1Br 7a_100000210227_100010140945 [0,2,0,0,0,0|2,0,0]=4 18893 B13R1.555 CCCCOCc1cccnc1Br 7a_100000719692_100000210211 [0,2,0,0,0,0|2,0,0]=4 18894 B13R1.555 CCCCOCc1cccnc1C 34a_100000210227_100000732876 [0,2,0,0,0,0|2,0,0]=4 18895 B13R1.555 CCCCOCc1cccnc1C 34a_100000729262_100000210210 [0,2,0,0,0,0|2,0,0]=4 18896 B13R1.555 CCCCOCc1cccnc1C 7a_100000210227_100000732876 [0,2,0,0,0,0|2,0,0]=4 18897 B13R1.555 CCCCOCc1cccnc1C 7a_100000729262_100000210211 [0,2,0,0,0,0|2,0,0]=4 18898 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000210227_100000045678 [0,2,0,0,0,0|2,0,0]=4 18899 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000748726_100000210210 [0,2,0,0,0,0|2,0,0]=4 18900 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000210227_100000045678 [0,2,0,0,0,0|2,0,0]=4 18901 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000748726_100000210211 [0,2,0,0,0,0|2,0,0]=4 18902 B13R1.555 CCCCOCc1cccnc1F 34a_100000079888_100000210210 [0,2,0,0,0,0|2,0,0]=4 18903 B13R1.555 CCCCOCc1cccnc1F 34a_100000210227_100000099810 [0,2,0,0,0,0|2,0,0]=4 18904 B13R1.555 CCCCOCc1cccnc1F 7a_100000079888_100000210211 [0,2,0,0,0,0|2,0,0]=4 18905 B13R1.555 CCCCOCc1cccnc1F 7a_100000210227_100000099810 [0,2,0,0,0,0|2,0,0]=4 18906 B13R1.555 CCCCOCc1ccncc1C 34a_100000210227_100020672809 [0,2,0,0,0,0|2,0,0]=4 18907 B13R1.555 CCCCOCc1ccncc1C 34a_100011997032_100000210210 [0,2,0,0,0,0|2,0,0]=4 18908 B13R1.555 CCCCOCc1ccncc1C 7a_100000210227_100020672808 [0,2,0,0,0,0|2,0,0]=4 18909 B13R1.555 CCCCOCc1ccncc1Cl 7a_100000210227_100000763264 [0,2,0,0,0,0|2,0,0]=4 18910 B13R1.555 CCCCOCc1ccncc1F 34a_100012172863_100000210210 [0,2,0,0,0,0|2,0,0]=4 18911 B13R1.555 CCCCOCc1cnccc1C 34a_100000210227_100000690890 [0,2,0,0,0,0|2,0,0]=4 18912 B13R1.555 CCCCOCc1cnccc1C 34a_100011996381_100000210210 [0,2,0,0,0,0|2,0,0]=4 18913 B13R1.555 CCCCOCc1cnccc1C 7a_100000210227_100000690890 [0,2,0,0,0,0|2,0,0]=4 18914 B13R1.555 CCCCOCc1cnccc1Cl 34a_100000117392_100000210210 [0,2,0,0,0,0|2,0,0]=4 18915 B13R1.555 CCCCOCc1ncccc1Br 34a_100000210227_100025702911 [0,2,0,0,0,0|2,0,0]=4 18916 B13R1.555 CCCCOCc1ncccc1Br 34a_100011996772_100000210210 [0,2,0,0,0,0|2,0,0]=4 18917 B13R1.555 CCCCOCc1ncccc1Br 7a_100000210227_100025702911 [0,2,0,0,0,0|2,0,0]=4 18918 B13R1.555 CCCCOCc1ncccc1C 34a_100000210227_100000696600 [0,2,0,0,0,0|2,0,0]=4 18919 B13R1.555 CCCCOCc1ncccc1C 34a_100000698912_100000210210 [0,2,0,0,0,0|2,0,0]=4 18920 B13R1.555 CCCCOCc1ncccc1C 7a_100000210227_100000696600 [0,2,0,0,0,0|2,0,0]=4 18921 B13R1.555 CCCCOCc1ncccc1Cl 34a_100012002383_100000210210 [0,2,0,0,0,0|2,0,0]=4 18922 B13R1.555 CCCCOCc1ncccc1Cl 7a_100000210227_100000099807 [0,2,0,0,0,0|2,0,0]=4 18923 B13R1.555 CCCCOCc1ncccc1F 34a_100000210227_100000104219 [0,2,0,0,0,0|2,0,0]=4 18924 B13R1.555 CCCCOCc1ncccc1F 34a_100011934865_100000210210 [0,2,0,0,0,0|2,0,0]=4 18925 B13R1.555 CCCCOCc1ncccc1F 7a_100000210227_100000104219 [0,2,0,0,0,0|2,0,0]=4 18926 B13R1.555 CCCCOCc1ncccc1N 34a_114873767017_100000210210 [0,2,0,0,0,0|2,0,0]=4 18927 B13R1.555 CCCCOCc1ncccc1O 34a_100000210227_200020655725 [0,2,0,0,0,0|2,0,0]=4 18928 B13R1.555 CCCCOCc1ncccc1O 7a_100000210227_200020655725 [0,2,0,0,0,0|2,0,0]=4 18929 B13R1.555 CCCCSCc1ccccc1Br 62a_100000184730_100000210210 [0,2,0,0,0,0|1,0,0]=3 18930 B13R1.555 CCCCSCc1ccccc1Br 62a_100000210211_100000184730 [0,2,0,0,0,0|1,0,0]=3 18931 B13R1.555 CCCCSCc1ccccc1C 62a_100000210211_100000211839 [0,2,0,0,0,0|1,0,0]=3 18932 B13R1.555 CCCCSCc1ccccc1C 62a_100000211839_100000210210 [0,2,0,0,0,0|1,0,0]=3 18933 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000187162_100000210210 [0,2,0,0,0,0|1,0,0]=3 18934 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000210211_100000187162 [0,2,0,0,0,0|1,0,0]=3 18935 B13R1.555 CCCCSCc1ccccc1F 62a_100000210211_100000211605 [0,2,0,0,0,0|1,0,0]=3 18936 B13R1.555 CCCCSCc1ccccc1F 62a_100000211605_100000210210 [0,2,0,0,0,0|1,0,0]=3 18937 B13R1.555 CCCCSCc1ccccc1I 62a_100000210211_100011216222 [0,2,0,0,0,0|1,0,0]=3 18938 B13R1.555 CCCCSCc1ccccc1I 62a_100011216222_100000210210 [0,2,0,0,0,0|1,0,0]=3 18939 B13R1.555 CCCCSCc1ccccc1O 271570a_203496583355_200011870348 [0,2,0,0,0,0|1,0,0]=3 18940 B13R1.555 CCCCSCc1cccnc1Br 62a_100000210211_100010140945 [0,2,0,0,0,0|2,0,0]=4 18941 B13R1.555 CCCCSCc1cccnc1Br 62a_100010140945_100000210210 [0,2,0,0,0,0|2,0,0]=4 18942 B13R1.555 CCCCSCc1cccnc1C 62a_100000210211_100000732876 [0,2,0,0,0,0|2,0,0]=4 18943 B13R1.555 CCCCSCc1cccnc1C 62a_100000732876_100000210210 [0,2,0,0,0,0|2,0,0]=4 18944 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000045678_100000210210 [0,2,0,0,0,0|2,0,0]=4 18945 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000210211_100000045678 [0,2,0,0,0,0|2,0,0]=4 18946 B13R1.555 CCCCSCc1cccnc1F 62a_100000099810_100000210210 [0,2,0,0,0,0|2,0,0]=4 18947 B13R1.555 CCCCSCc1cccnc1F 62a_100000210211_100000099810 [0,2,0,0,0,0|2,0,0]=4 18948 B13R1.555 CCCCSCc1ccncc1C 62a_100000210211_100020672808 [0,2,0,0,0,0|2,0,0]=4 18949 B13R1.555 CCCCSCc1ccncc1C 62a_100020672808_100000210210 [0,2,0,0,0,0|2,0,0]=4 18950 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000210211_100000763264 [0,2,0,0,0,0|2,0,0]=4 18951 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000763264_100000210210 [0,2,0,0,0,0|2,0,0]=4 18952 B13R1.555 CCCCSCc1cnccc1C 62a_100000210211_100000690890 [0,2,0,0,0,0|2,0,0]=4 18953 B13R1.555 CCCCSCc1cnccc1C 62a_100000690890_100000210210 [0,2,0,0,0,0|2,0,0]=4 18954 B13R1.555 CCCCSCc1ncccc1Br 62a_100000210211_100025702911 [0,2,0,0,0,0|2,0,0]=4 18955 B13R1.555 CCCCSCc1ncccc1Br 62a_100025702911_100000210210 [0,2,0,0,0,0|2,0,0]=4 18956 B13R1.555 CCCCSCc1ncccc1C 62a_100000210211_100000696600 [0,2,0,0,0,0|2,0,0]=4 18957 B13R1.555 CCCCSCc1ncccc1C 62a_100000696600_100000210210 [0,2,0,0,0,0|2,0,0]=4 18958 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000099807_100000210210 [0,2,0,0,0,0|2,0,0]=4 18959 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000210211_100000099807 [0,2,0,0,0,0|2,0,0]=4 18960 B13R1.555 CCCCSCc1ncccc1F 62a_100000104219_100000210210 [0,2,0,0,0,0|2,0,0]=4 18961 B13R1.555 CCCCSCc1ncccc1F 62a_100000210211_100000104219 [0,2,0,0,0,0|2,0,0]=4 18962 B13R1.555 CCCCSCc1ncccc1O 62a_100000210211_200020655725 [0,2,0,0,0,0|2,0,0]=4 18963 B13R1.555 CCCCSCc1ncccc1O 62a_200020655725_100000210210 [0,2,0,0,0,0|2,0,0]=4 18964 B13R1.555 CCCNCCc1ccccc1Br 2230a_100000747383_100000210303 [0,2,0,0,0,0|1,0,0]=3 18965 B13R1.555 CCCNCCc1ccccc1Br 34a_100000747383_100000210303 [0,2,0,0,0,0|1,0,0]=3 18966 B13R1.555 CCCNCCc1ccccc1C 2230a_100000685071_100000210303 [0,2,0,0,0,0|1,0,0]=3 18967 B13R1.555 CCCNCCc1ccccc1C 34a_100000685071_100000210303 [0,2,0,0,0,0|1,0,0]=3 18968 B13R1.555 CCCNCCc1ccccc1Cl 2230a_100011207228_100000210303 [0,2,0,0,0,0|1,0,0]=3 18969 B13R1.555 CCCNCCc1ccccc1Cl 270004a_100020643023_200011713468 [0,2,0,0,0,0|1,0,0]=3 18970 B13R1.555 CCCNCCc1ccccc1Cl 34a_100011207228_100000210303 [0,2,0,0,0,0|1,0,0]=3 18971 B13R1.555 CCCNCCc1ccccc1F 2230a_100000185272_100000210303 [0,2,0,0,0,0|1,0,0]=3 18972 B13R1.555 CCCNCCc1ccccc1F 34a_100000185272_100000210303 [0,2,0,0,0,0|1,0,0]=3 18973 B13R1.555 CCCNCCc1ccccc1O 34a_100011207237_100000210303 [0,2,0,0,0,0|1,0,0]=3 18974 B13R1.555 CCCNCCn1ccccc1=O 2230a_100000687133_100000210303 [0,2,0,0,0,0|2,0,0]=4 18975 B13R1.555 CCCOCCc1ccccc1Br 34a_100000210258_100012161201 [0,2,0,0,0,0|1,0,0]=3 18976 B13R1.555 CCCOCCc1ccccc1Br 34a_100000731337_100000210303 [0,2,0,0,0,0|1,0,0]=3 18977 B13R1.555 CCCOCCc1ccccc1Br 7a_100000731337_100000210303 [0,2,0,0,0,0|1,0,0]=3 18978 B13R1.555 CCCOCCc1ccccc1C 34a_100000210258_100011713688 [0,2,0,0,0,0|1,0,0]=3 18979 B13R1.555 CCCOCCc1ccccc1C 34a_100011220023_100000210303 [0,2,0,0,0,0|1,0,0]=3 18980 B13R1.555 CCCOCCc1ccccc1C 7a_100011220023_100000210303 [0,2,0,0,0,0|1,0,0]=3 18981 B13R1.555 CCCOCCc1ccccc1Cl 34a_100000210258_100011713703 [0,2,0,0,0,0|1,0,0]=3 18982 B13R1.555 CCCOCCc1ccccc1Cl 34a_100011215284_100000210303 [0,2,0,0,0,0|1,0,0]=3 18983 B13R1.555 CCCOCCc1ccccc1Cl 7a_100011215284_100000210303 [0,2,0,0,0,0|1,0,0]=3 18984 B13R1.555 CCCOCCc1ccccc1F 34a_100000210258_100000720011 [0,2,0,0,0,0|1,0,0]=3 18985 B13R1.555 CCCOCCc1ccccc1F 34a_100000753711_100000210303 [0,2,0,0,0,0|1,0,0]=3 18986 B13R1.555 CCCOCCc1ccccc1F 7a_100000753711_100000210303 [0,2,0,0,0,0|1,0,0]=3 18987 B13R1.555 CCCOCCc1ccccc1I 34a_100010255290_100000210303 [0,2,0,0,0,0|1,0,0]=3 18988 B13R1.555 CCCOCCc1ccccc1I 7a_100010255290_100000210303 [0,2,0,0,0,0|1,0,0]=3 18989 B13R1.555 CCCOCCc1ccccc1N 34a_100011215289_100000210303 [0,2,0,0,0,0|1,0,0]=3 18990 B13R1.555 CCCOCCc1ccccc1O 34a_100000210258_100000722297 [0,2,0,0,0,0|1,0,0]=3 18991 B13R1.555 CCCOCCc1ncccc1C 34a_100011997706_100000210303 [0,2,0,0,0,0|2,0,0]=4 18992 B13R1.555 CCCOCCc1ncccc1C 7a_100011997706_100000210303 [0,2,0,0,0,0|2,0,0]=4 18993 B13R1.555 CCCSCCc1ccccc1Br 62a_100000210303_100012161201 [0,2,0,0,0,0|1,0,0]=3 18994 B13R1.555 CCCSCCc1ccccc1Br 62a_100012161201_100000210303 [0,2,0,0,0,0|1,0,0]=3 18995 B13R1.555 CCCSCCc1ccccc1C 62a_100000210303_100011713688 [0,2,0,0,0,0|1,0,0]=3 18996 B13R1.555 CCCSCCc1ccccc1C 62a_100011713688_100000210303 [0,2,0,0,0,0|1,0,0]=3 18997 B13R1.555 CCCSCCc1ccccc1Cl 62a_100000210303_100011713703 [0,2,0,0,0,0|1,0,0]=3 18998 B13R1.555 CCCSCCc1ccccc1Cl 62a_100011713703_100000210303 [0,2,0,0,0,0|1,0,0]=3 18999 B13R1.555 CCCSCCc1ccccc1F 62a_100000210303_100011713696 [0,2,0,0,0,0|1,0,0]=3 19000 B13R1.555 CCCSCCc1ccccc1F 62a_100011713696_100000210303 [0,2,0,0,0,0|1,0,0]=3 19001 B13R1.555 CCCSCCc1ccccc1O 62a_100000210303_100000722297 [0,2,0,0,0,0|1,0,0]=3 19002 B13R1.555 CCCSCCc1ccccc1O 62a_100000722297_100000210303 [0,2,0,0,0,0|1,0,0]=3 19003 B13R1.555 CCNCCCc1ccccc1Br 2230a_100015525214_200011713681 [0,2,0,0,0,0|1,0,0]=3 19004 B13R1.555 CCNCCCc1ccccc1F 2230a_100000724733_100000210202 [0,2,0,0,0,0|1,0,0]=3 19005 B13R1.555 CCNCCCc1ccccc1F 34a_100000724733_100000210202 [0,2,0,0,0,0|1,0,0]=3 19006 B13R1.555 CCNCCOc1ccccc1Br 2230a_100000744007_100000210202 [0,2,0,0,0,0|2,0,0]=4 19007 B13R1.555 CCNCCOc1ccccc1Br 2230a_100015525214_100000695877 [0,2,0,0,0,0|2,0,0]=4 19008 B13R1.555 CCNCCOc1ccccc1Br 34a_100000744007_100000210202 [0,2,0,0,0,0|2,0,0]=4 19009 B13R1.555 CCNCCOc1ccccc1C 2230a_100000743344_100000210202 [0,2,0,0,0,0|2,0,0]=4 19010 B13R1.555 CCNCCOc1ccccc1C 2230a_100015525214_100000184434 [0,2,0,0,0,0|2,0,0]=4 19011 B13R1.555 CCNCCOc1ccccc1C 34a_100000743344_100000210202 [0,2,0,0,0,0|2,0,0]=4 19012 B13R1.555 CCNCCOc1ccccc1Cl 2230a_100000174932_100000210202 [0,2,0,0,0,0|2,0,0]=4 19013 B13R1.555 CCNCCOc1ccccc1Cl 34a_100000174932_100000210202 [0,2,0,0,0,0|2,0,0]=4 19014 B13R1.555 CCNCCOc1ccccc1F 2230a_100000683764_100000210202 [0,2,0,0,0,0|2,0,0]=4 19015 B13R1.555 CCNCCOc1ccccc1F 2230a_100015525214_100000183290 [0,2,0,0,0,0|2,0,0]=4 19016 B13R1.555 CCNCCOc1ccccc1F 34a_100000683764_100000210202 [0,2,0,0,0,0|2,0,0]=4 19017 B13R1.555 CCOCCCc1ccccc1Br 34a_100000699526_100000210202 [0,2,0,0,0,0|1,0,0]=3 19018 B13R1.555 CCOCCCc1ccccc1Br 34a_100121572206_200011713681 [0,2,0,0,0,0|1,0,0]=3 19019 B13R1.555 CCOCCCc1ccccc1Br 7a_100000699526_100000210202 [0,2,0,0,0,0|1,0,0]=3 19020 B13R1.555 CCOCCCc1ccccc1Cl 34a_100011709251_100000210202 [0,2,0,0,0,0|1,0,0]=3 19021 B13R1.555 CCOCCCc1ccccc1Cl 7a_100011709251_100000210202 [0,2,0,0,0,0|1,0,0]=3 19022 B13R1.555 CCOCCCc1ccccc1F 34a_100011709249_100000210202 [0,2,0,0,0,0|1,0,0]=3 19023 B13R1.555 CCOCCCc1ccccc1F 7a_100011709249_100000210202 [0,2,0,0,0,0|1,0,0]=3 19024 B13R1.555 CCOCCNc1ccccc1Br 34a_100000210017_100000210147 [0,2,0,0,0,0|2,0,0]=4 19025 B13R1.555 CCOCCNc1ccccc1C 34a_100011233185_100000210202 [0,2,0,0,0,0|2,0,0]=4 19026 B13R1.555 CCOCCNc1ccccc1C 34a_100015192222_100000210147 [0,2,0,0,0,0|2,0,0]=4 19027 B13R1.555 CCOCCNc1ccccc1Cl 34a_100000185783_100000210147 [0,2,0,0,0,0|2,0,0]=4 19028 B13R1.555 CCOCCNc1ccccc1F 34a_100000210422_100000210147 [0,2,0,0,0,0|2,0,0]=4 19029 B13R1.555 CCOCCNc1ccccc1I 34a_100000210053_100000210147 [0,2,0,0,0,0|2,0,0]=4 19030 B13R1.555 CCOCCNc1ccccc1N 34a_100000683943_100000210202 [0,2,0,0,0,0|2,0,0]=4 19031 B13R1.555 CCOCCNc1ccccc1O 34a_100000185747_100000210147 [0,2,0,0,0,0|2,0,0]=4 19032 B13R1.555 CCOCCOc1ccccc1Br 34a_100000181306_100000210147 [0,2,0,0,0,0|2,0,0]=4 19033 B13R1.555 CCOCCOc1ccccc1Br 34a_100000230753_100000210202 [0,2,0,0,0,0|2,0,0]=4 19034 B13R1.555 CCOCCOc1ccccc1Br 34a_100121572206_100000695877 [0,2,0,0,0,0|2,0,0]=4 19035 B13R1.555 CCOCCOc1ccccc1Br 7a_100000181306_100011215890 [0,2,0,0,0,0|2,0,0]=4 19036 B13R1.555 CCOCCOc1ccccc1Br 7a_100000230753_100000210202 [0,2,0,0,0,0|2,0,0]=4 19037 B13R1.555 CCOCCOc1ccccc1C 34a_100000210338_100000210147 [0,2,0,0,0,0|2,0,0]=4 19038 B13R1.555 CCOCCOc1ccccc1C 34a_100121572206_100000184434 [0,2,0,0,0,0|2,0,0]=4 19039 B13R1.555 CCOCCOc1ccccc1C 7a_100000210338_100011215890 [0,2,0,0,0,0|2,0,0]=4 19040 B13R1.555 CCOCCOc1ccccc1Cl 34a_100000210172_100000210147 [0,2,0,0,0,0|2,0,0]=4 19041 B13R1.555 CCOCCOc1ccccc1Cl 34a_200000230518_100000210202 [0,2,0,0,0,0|2,0,0]=4 19042 B13R1.555 CCOCCOc1ccccc1Cl 7a_100000210172_100011215890 [0,2,0,0,0,0|2,0,0]=4 19043 B13R1.555 CCOCCOc1ccccc1Cl 7a_200000230518_100000210202 [0,2,0,0,0,0|2,0,0]=4 19044 B13R1.555 CCOCCOc1ccccc1F 34a_100000210171_100000210147 [0,2,0,0,0,0|2,0,0]=4 19045 B13R1.555 CCOCCOc1ccccc1F 34a_100000756447_100000210202 [0,2,0,0,0,0|2,0,0]=4 19046 B13R1.555 CCOCCOc1ccccc1F 34a_100121572206_100000183290 [0,2,0,0,0,0|2,0,0]=4 19047 B13R1.555 CCOCCOc1ccccc1F 7a_100000210171_100011215890 [0,2,0,0,0,0|2,0,0]=4 19048 B13R1.555 CCOCCOc1ccccc1F 7a_100000756447_100000210202 [0,2,0,0,0,0|2,0,0]=4 19049 B13R1.555 CCOCCOc1ccccc1I 34a_100000739446_100000210147 [0,2,0,0,0,0|2,0,0]=4 19050 B13R1.555 CCOCCOc1ccccc1I 7a_100000739446_100011215890 [0,2,0,0,0,0|2,0,0]=4 19051 B13R1.555 CCOCCOc1ccccc1N 34a_100000185747_100000210147 [0,2,0,0,0,0|2,0,0]=4 19052 B13R1.555 CCOCCOc1ccccc1N 34a_100132302172_100000210202 [0,2,0,0,0,0|2,0,0]=4 19053 B13R1.555 CCOCCOc1ccccc1N 7a_100000185747_100011215890 [0,2,0,0,0,0|2,0,0]=4 19054 B13R1.555 CCOCCSc1ccccc1Br 34a_200000230852_100000210202 [0,2,0,0,0,0|2,0,0]=4 19055 B13R1.555 CCOCCSc1ccccc1Br 62a_100000210147_100000695589 [0,2,0,0,0,0|2,0,0]=4 19056 B13R1.555 CCOCCSc1ccccc1Br 62a_100000695589_100011215890 [0,2,0,0,0,0|2,0,0]=4 19057 B13R1.555 CCOCCSc1ccccc1Br 7a_200000230852_100000210202 [0,2,0,0,0,0|2,0,0]=4 19058 B13R1.555 CCOCCSc1ccccc1C 62a_100000210147_100000210755 [0,2,0,0,0,0|2,0,0]=4 19059 B13R1.555 CCOCCSc1ccccc1C 62a_100000210755_100011215890 [0,2,0,0,0,0|2,0,0]=4 19060 B13R1.555 CCOCCSc1ccccc1Cl 34a_200000230572_100000210202 [0,2,0,0,0,0|2,0,0]=4 19061 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000210147_100000764095 [0,2,0,0,0,0|2,0,0]=4 19062 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000764095_100011215890 [0,2,0,0,0,0|2,0,0]=4 19063 B13R1.555 CCOCCSc1ccccc1Cl 7a_200000230572_100000210202 [0,2,0,0,0,0|2,0,0]=4 19064 B13R1.555 CCOCCSc1ccccc1F 34a_200000230732_100000210202 [0,2,0,0,0,0|2,0,0]=4 19065 B13R1.555 CCOCCSc1ccccc1F 62a_100000210147_100011215700 [0,2,0,0,0,0|2,0,0]=4 19066 B13R1.555 CCOCCSc1ccccc1F 62a_100011215700_100011215890 [0,2,0,0,0,0|2,0,0]=4 19067 B13R1.555 CCOCCSc1ccccc1F 7a_200000230732_100000210202 [0,2,0,0,0,0|2,0,0]=4 19068 B13R1.555 CCOCCSc1ccccc1N 62a_100000210017_100011215890 [0,2,0,0,0,0|2,0,0]=4 19069 B13R1.555 CCOCCSc1ccccc1N 62a_100000210147_100000210017 [0,2,0,0,0,0|2,0,0]=4 19070 B13R1.555 CCOCCSc1ccccc1O 62a_100000210147_100000739446 [0,2,0,0,0,0|2,0,0]=4 19071 B13R1.555 CCOCCSc1ccccc1O 62a_100000739446_100011215890 [0,2,0,0,0,0|2,0,0]=4 19072 B13R1.555 CCOCSCc1ccccc1Br 62a_100000184730_100000739092 [0,2,0,0,0,0|2,0,0]=4 19073 B13R1.555 CCOCSCc1ccccc1Br 62a_100000739092_100000184730 [0,2,0,0,0,0|2,0,0]=4 19074 B13R1.555 CCOCSCc1ccccc1C 62a_100000211839_100000739092 [0,2,0,0,0,0|2,0,0]=4 19075 B13R1.555 CCOCSCc1ccccc1C 62a_100000739092_100000211839 [0,2,0,0,0,0|2,0,0]=4 19076 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000187162_100000739092 [0,2,0,0,0,0|2,0,0]=4 19077 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000739092_100000187162 [0,2,0,0,0,0|2,0,0]=4 19078 B13R1.555 CCOCSCc1ccccc1F 62a_100000211605_100000739092 [0,2,0,0,0,0|2,0,0]=4 19079 B13R1.555 CCOCSCc1ccccc1F 62a_100000739092_100000211605 [0,2,0,0,0,0|2,0,0]=4 19080 B13R1.555 CCOCSCc1ccccc1I 62a_100000739092_100011216222 [0,2,0,0,0,0|2,0,0]=4 19081 B13R1.555 CCOCSCc1ccccc1I 62a_100011216222_100000739092 [0,2,0,0,0,0|2,0,0]=4 19082 B13R1.555 CCSCCCc1ccccc1Br 62a_100000210202_200011713681 [0,2,0,0,0,0|1,0,0]=3 19083 B13R1.555 CCSCCCc1ccccc1Br 62a_200011713681_100000210202 [0,2,0,0,0,0|1,0,0]=3 19084 B13R1.555 CCSCCNc1ccccc1Br 34a_100000210017_100000757381 [0,2,0,0,0,0|2,0,0]=4 19085 B13R1.555 CCSCCNc1ccccc1C 34a_100015192222_100000757381 [0,2,0,0,0,0|2,0,0]=4 19086 B13R1.555 CCSCCNc1ccccc1Cl 34a_100000185783_100000757381 [0,2,0,0,0,0|2,0,0]=4 19087 B13R1.555 CCSCCNc1ccccc1F 34a_100000210422_100000757381 [0,2,0,0,0,0|2,0,0]=4 19088 B13R1.555 CCSCCNc1ccccc1I 34a_100000210053_100000757381 [0,2,0,0,0,0|2,0,0]=4 19089 B13R1.555 CCSCCNc1ccccc1O 34a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 19090 B13R1.555 CCSCCOc1ccccc1Br 34a_100000181306_100000757381 [0,2,0,0,0,0|2,0,0]=4 19091 B13R1.555 CCSCCOc1ccccc1Br 62a_100000210202_100000695877 [0,2,0,0,0,0|2,0,0]=4 19092 B13R1.555 CCSCCOc1ccccc1Br 62a_100000695877_100000210202 [0,2,0,0,0,0|2,0,0]=4 19093 B13R1.555 CCSCCOc1ccccc1Br 7a_100000181306_100000757381 [0,2,0,0,0,0|2,0,0]=4 19094 B13R1.555 CCSCCOc1ccccc1C 34a_100000210338_100000757381 [0,2,0,0,0,0|2,0,0]=4 19095 B13R1.555 CCSCCOc1ccccc1C 62a_100000184434_100000210202 [0,2,0,0,0,0|2,0,0]=4 19096 B13R1.555 CCSCCOc1ccccc1C 62a_100000210202_100000184434 [0,2,0,0,0,0|2,0,0]=4 19097 B13R1.555 CCSCCOc1ccccc1C 7a_100000210338_100000757381 [0,2,0,0,0,0|2,0,0]=4 19098 B13R1.555 CCSCCOc1ccccc1Cl 34a_100000210172_100000757381 [0,2,0,0,0,0|2,0,0]=4 19099 B13R1.555 CCSCCOc1ccccc1Cl 7a_100000210172_100000757381 [0,2,0,0,0,0|2,0,0]=4 19100 B13R1.555 CCSCCOc1ccccc1F 34a_100000210171_100000757381 [0,2,0,0,0,0|2,0,0]=4 19101 B13R1.555 CCSCCOc1ccccc1F 62a_100000183290_100000210202 [0,2,0,0,0,0|2,0,0]=4 19102 B13R1.555 CCSCCOc1ccccc1F 62a_100000210202_100000183290 [0,2,0,0,0,0|2,0,0]=4 19103 B13R1.555 CCSCCOc1ccccc1F 7a_100000210171_100000757381 [0,2,0,0,0,0|2,0,0]=4 19104 B13R1.555 CCSCCOc1ccccc1I 34a_100000739446_100000757381 [0,2,0,0,0,0|2,0,0]=4 19105 B13R1.555 CCSCCOc1ccccc1I 7a_100000739446_100000757381 [0,2,0,0,0,0|2,0,0]=4 19106 B13R1.555 CCSCCOc1ccccc1N 34a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 19107 B13R1.555 CCSCCOc1ccccc1N 7a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 19108 B13R1.555 CCSCCSc1ccccc1Br 62a_100000695589_100000757381 [0,2,0,0,0,0|2,0,0]=4 19109 B13R1.555 CCSCCSc1ccccc1Br 62a_100000757381_100000695589 [0,2,0,0,0,0|2,0,0]=4 19110 B13R1.555 CCSCCSc1ccccc1C 62a_100000210755_100000757381 [0,2,0,0,0,0|2,0,0]=4 19111 B13R1.555 CCSCCSc1ccccc1C 62a_100000757381_100000210755 [0,2,0,0,0,0|2,0,0]=4 19112 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000757381_100000764095 [0,2,0,0,0,0|2,0,0]=4 19113 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000764095_100000757381 [0,2,0,0,0,0|2,0,0]=4 19114 B13R1.555 CCSCCSc1ccccc1F 62a_100000757381_100011215700 [0,2,0,0,0,0|2,0,0]=4 19115 B13R1.555 CCSCCSc1ccccc1F 62a_100011215700_100000757381 [0,2,0,0,0,0|2,0,0]=4 19116 B13R1.555 CCSCCSc1ccccc1N 62a_100000210017_100000757381 [0,2,0,0,0,0|2,0,0]=4 19117 B13R1.555 CCSCCSc1ccccc1N 62a_100000757381_100000210017 [0,2,0,0,0,0|2,0,0]=4 19118 B13R1.555 CCSCCSc1ccccc1O 62a_100000739446_100000757381 [0,2,0,0,0,0|2,0,0]=4 19119 B13R1.555 CCSCCSc1ccccc1O 62a_100000757381_100000739446 [0,2,0,0,0,0|2,0,0]=4 19120 B13R1.555 CNCCCOc1ccccc1Br 2230a_106832991635_200011259276 [0,2,0,0,0,0|1,0,0]=3 19121 B13R1.555 CNCCCOc1ccccc1Br 34a_100102657272_200011259276 [0,2,0,0,0,0|1,0,0]=3 19122 B13R1.555 CNCCCOc1ccccc1Br 7a_106832991635_200011259276 [0,2,0,0,0,0|1,0,0]=3 19123 B13R1.555 CNCCCOc1ccccc1C 2230a_106633784460_200000210301 [0,2,0,0,0,0|1,0,0]=3 19124 B13R1.555 CNCCCOc1ccccc1C 2230a_106832991635_100000742659 [0,2,0,0,0,0|1,0,0]=3 19125 B13R1.555 CNCCCOc1ccccc1C 34a_100102657272_100000742659 [0,2,0,0,0,0|1,0,0]=3 19126 B13R1.555 CNCCCOc1ccccc1C 34a_106633784460_200000210301 [0,2,0,0,0,0|1,0,0]=3 19127 B13R1.555 CNCCCOc1ccccc1C 7a_106832991635_100000742659 [0,2,0,0,0,0|1,0,0]=3 19128 B13R1.555 CNCCCOc1ccccc1F 2230a_100000707858_200000210301 [0,2,0,0,0,0|1,0,0]=3 19129 B13R1.555 CNCCCOc1ccccc1F 2230a_106832991635_100011203253 [0,2,0,0,0,0|1,0,0]=3 19130 B13R1.555 CNCCCOc1ccccc1F 34a_100000707858_200000210301 [0,2,0,0,0,0|1,0,0]=3 19131 B13R1.555 CNCCCOc1ccccc1F 34a_100102657272_100011203253 [0,2,0,0,0,0|1,0,0]=3 19132 B13R1.555 CNCCCOc1ccccc1F 7a_106832991635_100011203253 [0,2,0,0,0,0|1,0,0]=3 19133 B13R1.555 CNCCCOc1ccccc1O 271570a_203496583355_100015186278 [0,2,0,0,0,0|1,0,0]=3 19134 B13R1.555 CNCCCSc1ccccc1Cl 2230a_106832991635_100000750589 [0,2,0,0,0,0|1,0,0]=3 19135 B13R1.555 CNCCCSc1ccccc1Cl 34a_100102657272_100000750589 [0,2,0,0,0,0|1,0,0]=3 19136 B13R1.555 CNCCCSc1ccccc1Cl 7a_106832991635_100000750589 [0,2,0,0,0,0|1,0,0]=3 19137 B13R1.555 CNCCOCc1ccccc1Cl 2230a_100000745786_200000210301 [0,2,0,0,0,0|1,0,0]=3 19138 B13R1.555 CNCCOCc1ccccc1Cl 34a_100000745786_200000210301 [0,2,0,0,0,0|1,0,0]=3 19139 B13R1.555 CNCCSCc1ccccc1C 2230a_200000189569_200000210301 [0,2,0,0,0,0|1,0,0]=3 19140 B13R1.555 CNCCSCc1ccccc1C 34a_200000189569_200000210301 [0,2,0,0,0,0|1,0,0]=3 19141 B13R1.555 CNCCSCc1ccccc1C 7a_200000189569_200000210301 [0,2,0,0,0,0|1,0,0]=3 19142 B13R1.555 CNCCSCc1ccccc1Cl 2230a_100011219180_200000210301 [0,2,0,0,0,0|1,0,0]=3 19143 B13R1.555 CNCCSCc1ccccc1Cl 34a_100011219180_200000210301 [0,2,0,0,0,0|1,0,0]=3 19144 B13R1.555 CNCCSCc1ccccc1Cl 7a_100011219180_200000210301 [0,2,0,0,0,0|1,0,0]=3 19145 B13R1.555 COCCCCc1ccccc1Br 34a_100012092669_200000210301 [0,2,0,0,0,0|1,0,0]=3 19146 B13R1.555 COCCCCc1ccccc1Br 7a_100012092669_200000210301 [0,2,0,0,0,0|1,0,0]=3 19147 B13R1.555 COCCCNc1ccccc1Br 34a_100000210017_100000740836 [0,2,0,0,0,0|2,0,0]=4 19148 B13R1.555 COCCCNc1ccccc1C 34a_100015192222_100000740836 [0,2,0,0,0,0|2,0,0]=4 19149 B13R1.555 COCCCNc1ccccc1Cl 34a_100000185783_100000740836 [0,2,0,0,0,0|2,0,0]=4 19150 B13R1.555 COCCCNc1ccccc1F 34a_100000210422_100000740836 [0,2,0,0,0,0|2,0,0]=4 19151 B13R1.555 COCCCNc1ccccc1I 34a_100000210053_100000740836 [0,2,0,0,0,0|2,0,0]=4 19152 B13R1.555 COCCCNc1ccccc1O 34a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 19153 B13R1.555 COCCCOc1ccccc1Br 34a_100000181306_100000740836 [0,2,0,0,0,0|2,0,0]=4 19154 B13R1.555 COCCCOc1ccccc1Br 34a_100138415774_200011259276 [0,2,0,0,0,0|2,0,0]=4 19155 B13R1.555 COCCCOc1ccccc1Br 7a_100000181306_100000740836 [0,2,0,0,0,0|2,0,0]=4 19156 B13R1.555 COCCCOc1ccccc1C 34a_100000210338_100000740836 [0,2,0,0,0,0|2,0,0]=4 19157 B13R1.555 COCCCOc1ccccc1C 34a_100138415774_100000742659 [0,2,0,0,0,0|2,0,0]=4 19158 B13R1.555 COCCCOc1ccccc1C 7a_100000210338_100000740836 [0,2,0,0,0,0|2,0,0]=4 19159 B13R1.555 COCCCOc1ccccc1Cl 34a_100000210172_100000740836 [0,2,0,0,0,0|2,0,0]=4 19160 B13R1.555 COCCCOc1ccccc1Cl 34a_100000230521_200000210301 [0,2,0,0,0,0|2,0,0]=4 19161 B13R1.555 COCCCOc1ccccc1Cl 7a_100000210172_100000740836 [0,2,0,0,0,0|2,0,0]=4 19162 B13R1.555 COCCCOc1ccccc1Cl 7a_100000230521_200000210301 [0,2,0,0,0,0|2,0,0]=4 19163 B13R1.555 COCCCOc1ccccc1F 34a_100000210171_100000740836 [0,2,0,0,0,0|2,0,0]=4 19164 B13R1.555 COCCCOc1ccccc1F 34a_100138415774_100011203253 [0,2,0,0,0,0|2,0,0]=4 19165 B13R1.555 COCCCOc1ccccc1F 7a_100000210171_100000740836 [0,2,0,0,0,0|2,0,0]=4 19166 B13R1.555 COCCCOc1ccccc1I 34a_100000739446_100000740836 [0,2,0,0,0,0|2,0,0]=4 19167 B13R1.555 COCCCOc1ccccc1I 7a_100000739446_100000740836 [0,2,0,0,0,0|2,0,0]=4 19168 B13R1.555 COCCCOc1ccccc1N 34a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 19169 B13R1.555 COCCCOc1ccccc1N 7a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 19170 B13R1.555 COCCCSc1ccccc1Br 62a_100000695589_100000709357 [0,2,0,0,0,0|2,0,0]=4 19171 B13R1.555 COCCCSc1ccccc1Br 62a_100000709357_100000695589 [0,2,0,0,0,0|2,0,0]=4 19172 B13R1.555 COCCCSc1ccccc1C 62a_100000210755_100000709357 [0,2,0,0,0,0|2,0,0]=4 19173 B13R1.555 COCCCSc1ccccc1C 62a_100000709357_100000210755 [0,2,0,0,0,0|2,0,0]=4 19174 B13R1.555 COCCCSc1ccccc1Cl 34a_100138415774_100000750589 [0,2,0,0,0,0|2,0,0]=4 19175 B13R1.555 COCCCSc1ccccc1Cl 62a_100000709357_100000764095 [0,2,0,0,0,0|2,0,0]=4 19176 B13R1.555 COCCCSc1ccccc1Cl 62a_100000764095_100000709357 [0,2,0,0,0,0|2,0,0]=4 19177 B13R1.555 COCCCSc1ccccc1F 62a_100000709357_100011215700 [0,2,0,0,0,0|2,0,0]=4 19178 B13R1.555 COCCCSc1ccccc1F 62a_100011215700_100000709357 [0,2,0,0,0,0|2,0,0]=4 19179 B13R1.555 COCCCSc1ccccc1N 62a_100000210017_100000709357 [0,2,0,0,0,0|2,0,0]=4 19180 B13R1.555 COCCCSc1ccccc1N 62a_100000709357_100000210017 [0,2,0,0,0,0|2,0,0]=4 19181 B13R1.555 COCCCSc1ccccc1O 62a_100000709357_100000739446 [0,2,0,0,0,0|2,0,0]=4 19182 B13R1.555 COCCCSc1ccccc1O 62a_100000739446_100000709357 [0,2,0,0,0,0|2,0,0]=4 19183 B13R1.555 COCCNCc1ccccc1Br 207a_100000209980_100000211189 [0,2,0,0,0,0|2,0,0]=4 19184 B13R1.555 COCCNCc1ccccc1Br 2230a_100000209980_100000184730 [0,2,0,0,0,0|2,0,0]=4 19185 B13R1.555 COCCNCc1ccccc1Br 2230a_100000689332_100011201679 [0,2,0,0,0,0|2,0,0]=4 19186 B13R1.555 COCCNCc1ccccc1Br 270004a_100000209980_100000211189 [0,2,0,0,0,0|2,0,0]=4 19187 B13R1.555 COCCNCc1ccccc1Br 34a_100000689332_100011201679 [0,2,0,0,0,0|2,0,0]=4 19188 B13R1.555 COCCNCc1ccccc1Br 34a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 19189 B13R1.555 COCCNCc1ccccc1C 207a_100000209980_100000211143 [0,2,0,0,0,0|2,0,0]=4 19190 B13R1.555 COCCNCc1ccccc1C 2230a_100000209980_100000211839 [0,2,0,0,0,0|2,0,0]=4 19191 B13R1.555 COCCNCc1ccccc1C 270004a_100000209980_100000211143 [0,2,0,0,0,0|2,0,0]=4 19192 B13R1.555 COCCNCc1ccccc1C 34a_100000174972_100011201679 [0,2,0,0,0,0|2,0,0]=4 19193 B13R1.555 COCCNCc1ccccc1Cl 207a_100000209980_100000210073 [0,2,0,0,0,0|2,0,0]=4 19194 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000174879_100011201679 [0,2,0,0,0,0|2,0,0]=4 19195 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000209980_100000187162 [0,2,0,0,0,0|2,0,0]=4 19196 B13R1.555 COCCNCc1ccccc1Cl 270004a_100000209980_100000210073 [0,2,0,0,0,0|2,0,0]=4 19197 B13R1.555 COCCNCc1ccccc1Cl 34a_100000174879_100011201679 [0,2,0,0,0,0|2,0,0]=4 19198 B13R1.555 COCCNCc1ccccc1Cl 34a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 19199 B13R1.555 COCCNCc1ccccc1F 207a_100000209980_100000210811 [0,2,0,0,0,0|2,0,0]=4 19200 B13R1.555 COCCNCc1ccccc1F 2230a_100000209980_100000211605 [0,2,0,0,0,0|2,0,0]=4 19201 B13R1.555 COCCNCc1ccccc1F 270004a_100000209980_100000210811 [0,2,0,0,0,0|2,0,0]=4 19202 B13R1.555 COCCNCc1ccccc1F 34a_100000174869_100011201679 [0,2,0,0,0,0|2,0,0]=4 19203 B13R1.555 COCCNCc1ccccc1I 207a_100000209980_100000010305 [0,2,0,0,0,0|2,0,0]=4 19204 B13R1.555 COCCNCc1ccccc1I 2230a_100000209980_100011215278 [0,2,0,0,0,0|2,0,0]=4 19205 B13R1.555 COCCNCc1ccccc1I 270004a_100000209980_100000010305 [0,2,0,0,0,0|2,0,0]=4 19206 B13R1.555 COCCNCc1ccccc1O 34a_100000185550_100011201679 [0,2,0,0,0,0|2,0,0]=4 19207 B13R1.555 COCCOCc1ccccc1Br 34a_100000210237_100000184730 [0,2,0,0,0,0|2,0,0]=4 19208 B13R1.555 COCCOCc1ccccc1Br 34a_100000756307_100011201679 [0,2,0,0,0,0|2,0,0]=4 19209 B13R1.555 COCCOCc1ccccc1Br 7a_100000756307_100000233755 [0,2,0,0,0,0|2,0,0]=4 19210 B13R1.555 COCCOCc1ccccc1C 34a_100000210237_100000211839 [0,2,0,0,0,0|2,0,0]=4 19211 B13R1.555 COCCOCc1ccccc1C 34a_100000698903_100011201679 [0,2,0,0,0,0|2,0,0]=4 19212 B13R1.555 COCCOCc1ccccc1C 7a_100000698903_100000233755 [0,2,0,0,0,0|2,0,0]=4 19213 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210237_100000187162 [0,2,0,0,0,0|2,0,0]=4 19214 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210847_100011201679 [0,2,0,0,0,0|2,0,0]=4 19215 B13R1.555 COCCOCc1ccccc1Cl 7a_100000210847_100000233755 [0,2,0,0,0,0|2,0,0]=4 19216 B13R1.555 COCCOCc1ccccc1F 34a_100000210237_100000211605 [0,2,0,0,0,0|2,0,0]=4 19217 B13R1.555 COCCOCc1ccccc1F 34a_100000211962_100011201679 [0,2,0,0,0,0|2,0,0]=4 19218 B13R1.555 COCCOCc1ccccc1F 7a_100000211962_100000233755 [0,2,0,0,0,0|2,0,0]=4 19219 B13R1.555 COCCOCc1ccccc1I 34a_100000187465_100011201679 [0,2,0,0,0,0|2,0,0]=4 19220 B13R1.555 COCCOCc1ccccc1I 34a_100000210237_100011215278 [0,2,0,0,0,0|2,0,0]=4 19221 B13R1.555 COCCOCc1ccccc1I 7a_100000187465_100000233755 [0,2,0,0,0,0|2,0,0]=4 19222 B13R1.555 COCCOCc1ccccc1N 34a_100000212039_100011201679 [0,2,0,0,0,0|2,0,0]=4 19223 B13R1.555 COCCSCc1ccccc1Br 62a_100000184730_100000233755 [0,2,0,0,0,0|2,0,0]=4 19224 B13R1.555 COCCSCc1ccccc1Br 62a_100000233755_100000184730 [0,2,0,0,0,0|2,0,0]=4 19225 B13R1.555 COCCSCc1ccccc1C 62a_100000211839_100000233755 [0,2,0,0,0,0|2,0,0]=4 19226 B13R1.555 COCCSCc1ccccc1C 62a_100000233755_100000211839 [0,2,0,0,0,0|2,0,0]=4 19227 B13R1.555 COCCSCc1ccccc1Cl 62a_100000187162_100000233755 [0,2,0,0,0,0|2,0,0]=4 19228 B13R1.555 COCCSCc1ccccc1Cl 62a_100000233755_100000187162 [0,2,0,0,0,0|2,0,0]=4 19229 B13R1.555 COCCSCc1ccccc1F 62a_100000211605_100000233755 [0,2,0,0,0,0|2,0,0]=4 19230 B13R1.555 COCCSCc1ccccc1F 62a_100000233755_100000211605 [0,2,0,0,0,0|2,0,0]=4 19231 B13R1.555 COCCSCc1ccccc1I 62a_100000233755_100011216222 [0,2,0,0,0,0|2,0,0]=4 19232 B13R1.555 COCCSCc1ccccc1I 62a_100011216222_100000233755 [0,2,0,0,0,0|2,0,0]=4 19233 B13R1.555 COCNCCc1ccccc1Br 2230a_100000747383_100000766300 [0,2,0,0,0,0|2,0,0]=4 19234 B13R1.555 COCNCCc1ccccc1C 2230a_100000685071_100000766300 [0,2,0,0,0,0|2,0,0]=4 19235 B13R1.555 COCNCCc1ccccc1Cl 2230a_100011207228_100000766300 [0,2,0,0,0,0|2,0,0]=4 19236 B13R1.555 COCNCCc1ccccc1F 2230a_100000185272_100000766300 [0,2,0,0,0,0|2,0,0]=4 19237 B13R1.555 COCSCCc1ccccc1Br 62a_100000766300_100012161201 [0,2,0,0,0,0|2,0,0]=4 19238 B13R1.555 COCSCCc1ccccc1Br 62a_100012161201_100000766300 [0,2,0,0,0,0|2,0,0]=4 19239 B13R1.555 COCSCCc1ccccc1C 62a_100000766300_100011713688 [0,2,0,0,0,0|2,0,0]=4 19240 B13R1.555 COCSCCc1ccccc1C 62a_100011713688_100000766300 [0,2,0,0,0,0|2,0,0]=4 19241 B13R1.555 COCSCCc1ccccc1Cl 62a_100000766300_100011713703 [0,2,0,0,0,0|2,0,0]=4 19242 B13R1.555 COCSCCc1ccccc1Cl 62a_100011713703_100000766300 [0,2,0,0,0,0|2,0,0]=4 19243 B13R1.555 COCSCCc1ccccc1F 62a_100000766300_100011713696 [0,2,0,0,0,0|2,0,0]=4 19244 B13R1.555 COCSCCc1ccccc1F 62a_100011713696_100000766300 [0,2,0,0,0,0|2,0,0]=4 19245 B13R1.555 COCSCCc1ccccc1O 62a_100000722297_100000766300 [0,2,0,0,0,0|2,0,0]=4 19246 B13R1.555 COCSCCc1ccccc1O 62a_100000766300_100000722297 [0,2,0,0,0,0|2,0,0]=4 19247 B13R1.555 CSCCCOc1ccccc1Br 62a_200000210301_200011259276 [0,2,0,0,0,0|2,0,0]=4 19248 B13R1.555 CSCCCOc1ccccc1Br 62a_200011259276_200000210301 [0,2,0,0,0,0|2,0,0]=4 19249 B13R1.555 CSCCCOc1ccccc1C 62a_100000742659_200000210301 [0,2,0,0,0,0|2,0,0]=4 19250 B13R1.555 CSCCCOc1ccccc1C 62a_200000210301_100000742659 [0,2,0,0,0,0|2,0,0]=4 19251 B13R1.555 CSCCCOc1ccccc1F 62a_100011203253_200000210301 [0,2,0,0,0,0|2,0,0]=4 19252 B13R1.555 CSCCCOc1ccccc1F 62a_200000210301_100011203253 [0,2,0,0,0,0|2,0,0]=4 19253 B13R1.555 CSCCCSc1ccccc1Cl 62a_100000750589_200000210301 [0,2,0,0,0,0|2,0,0]=4 19254 B13R1.555 CSCCCSc1ccccc1Cl 62a_200000210301_100000750589 [0,2,0,0,0,0|2,0,0]=4 19255 B13R1.555 CSCCNCc1ccccc1Br 207a_100020590264_100000211189 [0,2,0,0,0,0|2,0,0]=4 19256 B13R1.555 CSCCNCc1ccccc1Br 2230a_100000689332_100000751147 [0,2,0,0,0,0|2,0,0]=4 19257 B13R1.555 CSCCNCc1ccccc1Br 2230a_100020590264_100000184730 [0,2,0,0,0,0|2,0,0]=4 19258 B13R1.555 CSCCNCc1ccccc1Br 270004a_100020590264_100000211189 [0,2,0,0,0,0|2,0,0]=4 19259 B13R1.555 CSCCNCc1ccccc1Br 34a_100000689332_100000212216 [0,2,0,0,0,0|2,0,0]=4 19260 B13R1.555 CSCCNCc1ccccc1C 207a_100020590264_100000211143 [0,2,0,0,0,0|2,0,0]=4 19261 B13R1.555 CSCCNCc1ccccc1C 2230a_100020590264_100000211839 [0,2,0,0,0,0|2,0,0]=4 19262 B13R1.555 CSCCNCc1ccccc1C 270004a_100020590264_100000211143 [0,2,0,0,0,0|2,0,0]=4 19263 B13R1.555 CSCCNCc1ccccc1C 34a_100000174972_100000212216 [0,2,0,0,0,0|2,0,0]=4 19264 B13R1.555 CSCCNCc1ccccc1Cl 207a_100020590264_100000210073 [0,2,0,0,0,0|2,0,0]=4 19265 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100000174879_100000751147 [0,2,0,0,0,0|2,0,0]=4 19266 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100020590264_100000187162 [0,2,0,0,0,0|2,0,0]=4 19267 B13R1.555 CSCCNCc1ccccc1Cl 270004a_100020590264_100000210073 [0,2,0,0,0,0|2,0,0]=4 19268 B13R1.555 CSCCNCc1ccccc1Cl 34a_100000174879_100000212216 [0,2,0,0,0,0|2,0,0]=4 19269 B13R1.555 CSCCNCc1ccccc1F 207a_100020590264_100000210811 [0,2,0,0,0,0|2,0,0]=4 19270 B13R1.555 CSCCNCc1ccccc1F 2230a_100020590264_100000211605 [0,2,0,0,0,0|2,0,0]=4 19271 B13R1.555 CSCCNCc1ccccc1F 270004a_100020590264_100000210811 [0,2,0,0,0,0|2,0,0]=4 19272 B13R1.555 CSCCNCc1ccccc1F 34a_100000174869_100000212216 [0,2,0,0,0,0|2,0,0]=4 19273 B13R1.555 CSCCNCc1ccccc1I 207a_100020590264_100000010305 [0,2,0,0,0,0|2,0,0]=4 19274 B13R1.555 CSCCNCc1ccccc1I 2230a_100020590264_100011215278 [0,2,0,0,0,0|2,0,0]=4 19275 B13R1.555 CSCCNCc1ccccc1I 270004a_100020590264_100000010305 [0,2,0,0,0,0|2,0,0]=4 19276 B13R1.555 CSCCNCc1ccccc1O 34a_100000185550_100000212216 [0,2,0,0,0,0|2,0,0]=4 19277 B13R1.555 CSCCOCc1ccccc1Br 34a_100000230434_100000184730 [0,2,0,0,0,0|2,0,0]=4 19278 B13R1.555 CSCCOCc1ccccc1Br 34a_100000756307_100000212216 [0,2,0,0,0,0|2,0,0]=4 19279 B13R1.555 CSCCOCc1ccccc1Br 7a_100000230434_100000184730 [0,2,0,0,0,0|2,0,0]=4 19280 B13R1.555 CSCCOCc1ccccc1Br 7a_100000756307_100000212216 [0,2,0,0,0,0|2,0,0]=4 19281 B13R1.555 CSCCOCc1ccccc1C 34a_100000230434_100000211839 [0,2,0,0,0,0|2,0,0]=4 19282 B13R1.555 CSCCOCc1ccccc1C 34a_100000698903_100000212216 [0,2,0,0,0,0|2,0,0]=4 19283 B13R1.555 CSCCOCc1ccccc1C 7a_100000230434_100000211839 [0,2,0,0,0,0|2,0,0]=4 19284 B13R1.555 CSCCOCc1ccccc1C 7a_100000698903_100000212216 [0,2,0,0,0,0|2,0,0]=4 19285 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000210847_100000212216 [0,2,0,0,0,0|2,0,0]=4 19286 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000230434_100000187162 [0,2,0,0,0,0|2,0,0]=4 19287 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000210847_100000212216 [0,2,0,0,0,0|2,0,0]=4 19288 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000230434_100000187162 [0,2,0,0,0,0|2,0,0]=4 19289 B13R1.555 CSCCOCc1ccccc1F 34a_100000211962_100000212216 [0,2,0,0,0,0|2,0,0]=4 19290 B13R1.555 CSCCOCc1ccccc1F 34a_100000230434_100000211605 [0,2,0,0,0,0|2,0,0]=4 19291 B13R1.555 CSCCOCc1ccccc1F 7a_100000211962_100000212216 [0,2,0,0,0,0|2,0,0]=4 19292 B13R1.555 CSCCOCc1ccccc1F 7a_100000230434_100000211605 [0,2,0,0,0,0|2,0,0]=4 19293 B13R1.555 CSCCOCc1ccccc1I 34a_100000187465_100000212216 [0,2,0,0,0,0|2,0,0]=4 19294 B13R1.555 CSCCOCc1ccccc1I 34a_100000230434_100011215278 [0,2,0,0,0,0|2,0,0]=4 19295 B13R1.555 CSCCOCc1ccccc1I 7a_100000187465_100000212216 [0,2,0,0,0,0|2,0,0]=4 19296 B13R1.555 CSCCOCc1ccccc1I 7a_100000230434_100011215278 [0,2,0,0,0,0|2,0,0]=4 19297 B13R1.555 CSCCOCc1ccccc1N 34a_100000212039_100000212216 [0,2,0,0,0,0|2,0,0]=4 19298 B13R1.555 CSCCSCc1ccccc1Br 62a_100000184730_100000751147 [0,2,0,0,0,0|2,0,0]=4 19299 B13R1.555 CSCCSCc1ccccc1Br 62a_100000212216_100000184730 [0,2,0,0,0,0|2,0,0]=4 19300 B13R1.555 CSCCSCc1ccccc1C 62a_100000211839_100000751147 [0,2,0,0,0,0|2,0,0]=4 19301 B13R1.555 CSCCSCc1ccccc1C 62a_100000212216_100000211839 [0,2,0,0,0,0|2,0,0]=4 19302 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000187162_100000751147 [0,2,0,0,0,0|2,0,0]=4 19303 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000212216_100000187162 [0,2,0,0,0,0|2,0,0]=4 19304 B13R1.555 CSCCSCc1ccccc1F 62a_100000211605_100000751147 [0,2,0,0,0,0|2,0,0]=4 19305 B13R1.555 CSCCSCc1ccccc1F 62a_100000212216_100000211605 [0,2,0,0,0,0|2,0,0]=4 19306 B13R1.555 CSCCSCc1ccccc1I 62a_100000212216_100011216222 [0,2,0,0,0,0|2,0,0]=4 19307 B13R1.555 CSCCSCc1ccccc1I 62a_100011216222_100000751147 [0,2,0,0,0,0|2,0,0]=4 19308 B13R1.555 CSCNCCc1ccccc1Br 2230a_100000747383_100011218213 [0,2,0,0,0,0|2,0,0]=4 19309 B13R1.555 CSCNCCc1ccccc1Br 34a_100000747383_100011218213 [0,2,0,0,0,0|2,0,0]=4 19310 B13R1.555 CSCNCCc1ccccc1C 2230a_100000685071_100011218213 [0,2,0,0,0,0|2,0,0]=4 19311 B13R1.555 CSCNCCc1ccccc1C 34a_100000685071_100011218213 [0,2,0,0,0,0|2,0,0]=4 19312 B13R1.555 CSCNCCc1ccccc1Cl 2230a_100011207228_100011218213 [0,2,0,0,0,0|2,0,0]=4 19313 B13R1.555 CSCNCCc1ccccc1Cl 34a_100011207228_100011218213 [0,2,0,0,0,0|2,0,0]=4 19314 B13R1.555 CSCNCCc1ccccc1F 2230a_100000185272_100011218213 [0,2,0,0,0,0|2,0,0]=4 19315 B13R1.555 CSCNCCc1ccccc1F 34a_100000185272_100011218213 [0,2,0,0,0,0|2,0,0]=4 19316 B13R1.555 CSCNCCc1ccccc1O 34a_100011207237_100011218213 [0,2,0,0,0,0|2,0,0]=4 19317 B13R1.555 CSCOCCc1ccccc1Br 34a_100000731337_100011218213 [0,2,0,0,0,0|2,0,0]=4 19318 B13R1.555 CSCOCCc1ccccc1C 34a_100011220023_100011218213 [0,2,0,0,0,0|2,0,0]=4 19319 B13R1.555 CSCOCCc1ccccc1Cl 34a_100011215284_100011218213 [0,2,0,0,0,0|2,0,0]=4 19320 B13R1.555 CSCOCCc1ccccc1F 34a_100000753711_100011218213 [0,2,0,0,0,0|2,0,0]=4 19321 B13R1.555 CSCOCCc1ccccc1I 34a_100010255290_100011218213 [0,2,0,0,0,0|2,0,0]=4 19322 B13R1.555 CSCOCCc1ccccc1N 34a_100011215289_100011218213 [0,2,0,0,0,0|2,0,0]=4 19323 B13R1.555 CSCSCCc1ccccc1Br 62a_100011218213_100012161201 [0,2,0,0,0,0|2,0,0]=4 19324 B13R1.555 CSCSCCc1ccccc1Br 62a_100012161201_100011218213 [0,2,0,0,0,0|2,0,0]=4 19325 B13R1.555 CSCSCCc1ccccc1C 62a_100011218213_100011713688 [0,2,0,0,0,0|2,0,0]=4 19326 B13R1.555 CSCSCCc1ccccc1C 62a_100011713688_100011218213 [0,2,0,0,0,0|2,0,0]=4 19327 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011218213_100011713703 [0,2,0,0,0,0|2,0,0]=4 19328 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011713703_100011218213 [0,2,0,0,0,0|2,0,0]=4 19329 B13R1.555 CSCSCCc1ccccc1F 62a_100011218213_100011713696 [0,2,0,0,0,0|2,0,0]=4 19330 B13R1.555 CSCSCCc1ccccc1F 62a_100011713696_100011218213 [0,2,0,0,0,0|2,0,0]=4 19331 B13R1.555 CSCSCCc1ccccc1O 62a_100000722297_100011218213 [0,2,0,0,0,0|2,0,0]=4 19332 B13R1.555 CSCSCCc1ccccc1O 62a_100011218213_100000722297 [0,2,0,0,0,0|2,0,0]=4 19333 B13R1.555 C[n+]1ccccc1SCCCCF 62a_100000729493_100000212160 [0,2,0,0,0,0|2,0,0]=4 19334 B13R1.555 C[n+]1ccccc1SCCCCO 62a_100000210776_100000212160 [0,2,0,0,0,0|2,0,0]=4 19335 B13R1.555 Cc1ccccc1CCNCC#N 2230a_100000685071_100011215382 [0,2,0,0,0,0|0,0,2]=4 19336 B13R1.555 Cc1ccccc1CCNCC=O 2230a_100000685071_200015260668 [0,2,0,0,0,0|1,0,1]=4 19337 B13R1.555 Cc1ccccc1CCNCC=O 34a_100000685071_200009817547 [0,2,0,0,0,0|1,0,1]=4 19338 B13R1.555 Cc1ccccc1CCNCCF 2230a_100000685071_100011217306 [0,2,0,0,0,0|1,0,0]=3 19339 B13R1.555 Cc1ccccc1CCNCCF 34a_100000685071_100011217306 [0,2,0,0,0,0|1,0,0]=3 19340 B13R1.555 Cc1ccccc1CCNCCF 34a_100000724931_100011713688 [0,2,0,0,0,0|1,0,0]=3 19341 B13R1.555 Cc1ccccc1CCNCCO 2230a_100000685071_100000211926 [0,2,0,0,0,0|1,0,0]=3 19342 B13R1.555 Cc1ccccc1CCNCCO 2230a_100016997473_100011713688 [0,2,0,0,0,0|1,0,0]=3 19343 B13R1.555 Cc1ccccc1CCNCCO 34a_100000685071_100000211926 [0,2,0,0,0,0|1,0,0]=3 19344 B13R1.555 Cc1ccccc1CCNCCO 34a_100016990907_100011713688 [0,2,0,0,0,0|1,0,0]=3 19345 B13R1.555 Cc1ccccc1CCOCC#N 7a_100011220023_100011215382 [0,2,0,0,0,0|0,0,2]=4 19346 B13R1.555 Cc1ccccc1CCOCC=O 34a_100011220023_200009817547 [0,2,0,0,0,0|1,0,1]=4 19347 B13R1.555 Cc1ccccc1CCOCC=O 7a_100011220023_200015260668 [0,2,0,0,0,0|1,0,1]=4 19348 B13R1.555 Cc1ccccc1CCOCCBr 34a_100000211926_100011713688 [0,2,0,0,0,0|1,0,0]=3 19349 B13R1.555 Cc1ccccc1CCOCCF 34a_100011220023_100011217306 [0,2,0,0,0,0|1,0,0]=3 19350 B13R1.555 Cc1ccccc1CCOCCF 7a_100011220023_100011217306 [0,2,0,0,0,0|1,0,0]=3 19351 B13R1.555 Cc1ccccc1CCOCCN 34a_100000210304_100011713688 [0,2,0,0,0,0|0,0,0]=2 19352 B13R1.555 Cc1ccccc1CCOCCO 34a_100011220023_100000211926 [0,2,0,0,0,0|1,0,0]=3 19353 B13R1.555 Cc1ccccc1CCOCCO 7a_100011220023_100000211926 [0,2,0,0,0,0|1,0,0]=3 19354 B13R1.555 Cc1ccccc1CCSCC#N 62a_100011215382_100011713688 [0,2,0,0,0,0|0,0,2]=4 19355 B13R1.555 Cc1ccccc1CCSCC#N 62a_100011713688_100011215382 [0,2,0,0,0,0|0,0,2]=4 19356 B13R1.555 Cc1ccccc1CCSCC=O 62a_100011713688_200015260668 [0,2,0,0,0,0|1,0,1]=4 19357 B13R1.555 Cc1ccccc1CCSCC=O 62a_200015260668_100011713688 [0,2,0,0,0,0|1,0,1]=4 19358 B13R1.555 Cc1ccccc1CCSCCF 62a_100011217306_100011713688 [0,2,0,0,0,0|1,0,0]=3 19359 B13R1.555 Cc1ccccc1CCSCCF 62a_100011713688_100011217306 [0,2,0,0,0,0|1,0,0]=3 19360 B13R1.555 Cc1ccccc1CCSCCO 62a_100000211926_100011713688 [0,2,0,0,0,0|1,0,0]=3 19361 B13R1.555 Cc1ccccc1CCSCCO 62a_100011713688_100000211926 [0,2,0,0,0,0|1,0,0]=3 19362 B13R1.555 Cc1ccccc1CNCCC#N 270004a_100000720768_100000211143 [0,2,0,0,0,0|0,0,2]=4 19363 B13R1.555 Cc1ccccc1CNCCCF 207a_100015189416_100000211143 [0,2,0,0,0,0|1,0,0]=3 19364 B13R1.555 Cc1ccccc1CNCCCF 2230a_100015189416_100000211839 [0,2,0,0,0,0|1,0,0]=3 19365 B13R1.555 Cc1ccccc1CNCCCF 270004a_100015189416_100000211143 [0,2,0,0,0,0|1,0,0]=3 19366 B13R1.555 Cc1ccccc1CNCCCF 34a_100000174972_100011934791 [0,2,0,0,0,0|1,0,0]=3 19367 B13R1.555 Cc1ccccc1CNCCCF 34a_100015189416_100000211839 [0,2,0,0,0,0|1,0,0]=3 19368 B13R1.555 Cc1ccccc1CNCCCO 207a_100000182051_100000211143 [0,2,0,0,0,0|1,0,0]=3 19369 B13R1.555 Cc1ccccc1CNCCCO 270004a_100000182051_100000211143 [0,2,0,0,0,0|1,0,0]=3 19370 B13R1.555 Cc1ccccc1CNCCCO 34a_100000174972_100000230001 [0,2,0,0,0,0|1,0,0]=3 19371 B13R1.555 Cc1ccccc1COCCC#N 7a_100000698903_100000184422 [0,2,0,0,0,0|0,0,2]=4 19372 B13R1.555 Cc1ccccc1COCCCBr 34a_100011217188_100000211839 [0,2,0,0,0,0|1,0,0]=3 19373 B13R1.555 Cc1ccccc1COCCCCl 34a_100000230001_100000211839 [0,2,0,0,0,0|1,0,0]=3 19374 B13R1.555 Cc1ccccc1COCCCF 34a_100000698903_100011934791 [0,2,0,0,0,0|1,0,0]=3 19375 B13R1.555 Cc1ccccc1COCCCF 34a_100000759539_100000211839 [0,2,0,0,0,0|1,0,0]=3 19376 B13R1.555 Cc1ccccc1COCCCF 7a_100000698903_100011934791 [0,2,0,0,0,0|1,0,0]=3 19377 B13R1.555 Cc1ccccc1COCCCN 34a_100000182051_100000211839 [0,2,0,0,0,0|0,0,0]=2 19378 B13R1.555 Cc1ccccc1COCCCO 34a_100000698903_100000230001 [0,2,0,0,0,0|1,0,0]=3 19379 B13R1.555 Cc1ccccc1COCCCO 7a_100000698903_100011215043 [0,2,0,0,0,0|1,0,0]=3 19380 B13R1.555 Cc1ccccc1COCCON 34a_100000700252_100000211839 [0,2,0,0,0,0|1,0,0]=3 19381 B13R1.555 Cc1ccccc1CSCCC#N 62a_100000211839_100011215226 [0,2,0,0,0,0|0,0,2]=4 19382 B13R1.555 Cc1ccccc1CSCCC#N 62a_100011215226_100000211839 [0,2,0,0,0,0|0,0,2]=4 19383 B13R1.555 Cc1ccccc1CSCCCF 62a_100000211839_100011934791 [0,2,0,0,0,0|1,0,0]=3 19384 B13R1.555 Cc1ccccc1CSCCCF 62a_100011934791_100000211839 [0,2,0,0,0,0|1,0,0]=3 19385 B13R1.555 Cc1ccccc1CSCCCO 62a_100000211839_100011215043 [0,2,0,0,0,0|1,0,0]=3 19386 B13R1.555 Cc1ccccc1CSCCCO 62a_100011215043_100000211839 [0,2,0,0,0,0|1,0,0]=3 19387 B13R1.555 Cc1ccccc1CSCCN[13CH3] 2230a_200000189569_200025704644 [0,2,0,0,0,0|1,0,0]=3 19388 B13R1.555 Cc1ccccc1CSCCN[13CH3] 34a_200000189569_200025704644 [0,2,0,0,0,0|1,0,0]=3 19389 B13R1.555 Cc1ccccc1CSCCN[13CH3] 7a_200000189569_200025704644 [0,2,0,0,0,0|1,0,0]=3 19390 B13R1.555 Cc1ccccc1NCCCCF 34a_100015192222_100000729493 [0,2,0,0,0,0|1,0,0]=3 19391 B13R1.555 Cc1ccccc1NCCCCO 34a_100015192222_100011216708 [0,2,0,0,0,0|1,0,0]=3 19392 B13R1.555 Cc1ccccc1NCCOCF 34a_100011233185_100015361967 [0,2,0,0,0,0|2,0,0]=4 19393 B13R1.555 Cc1ccccc1OCCCC#N 7a_100000210338_100000687738 [0,2,0,0,0,0|0,0,2]=4 19394 B13R1.555 Cc1ccccc1OCCCC=O 7a_100000210338_200011292268 [0,2,0,0,0,0|1,0,1]=4 19395 B13R1.555 Cc1ccccc1OCCCCF 34a_100000210338_100000729493 [0,2,0,0,0,0|1,0,0]=3 19396 B13R1.555 Cc1ccccc1OCCCCF 7a_100000210338_100000729493 [0,2,0,0,0,0|1,0,0]=3 19397 B13R1.555 Cc1ccccc1OCCCCO 34a_100000210338_100011216708 [0,2,0,0,0,0|1,0,0]=3 19398 B13R1.555 Cc1ccccc1OCCCCO 7a_100000210338_100000210776 [0,2,0,0,0,0|1,0,0]=3 19399 B13R1.555 Cc1ccccc1OCCCN[13CH3] 2230a_106633784460_200025704644 [0,2,0,0,0,0|1,0,0]=3 19400 B13R1.555 Cc1ccccc1OCCCN[13CH3] 34a_106633784460_200025704644 [0,2,0,0,0,0|1,0,0]=3 19401 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_100000742659_200025704644 [0,2,0,0,0,0|2,0,0]=4 19402 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_200025704644_100000742659 [0,2,0,0,0,0|2,0,0]=4 19403 B13R1.555 Cc1ccccc1OCCNCF 34a_100000743344_100015361967 [0,2,0,0,0,0|2,0,0]=4 19404 B13R1.555 Cc1ccccc1OCCSCF 62a_100000184434_100015361967 [0,2,0,0,0,0|2,0,0]=4 19405 B13R1.555 Cc1ccccc1OCCSCF 62a_100015361967_100000184434 [0,2,0,0,0,0|2,0,0]=4 19406 B13R1.555 Cc1ccccc1SCCCC#N 62a_100000210755_100000687738 [0,2,0,0,0,0|0,0,2]=4 19407 B13R1.555 Cc1ccccc1SCCCC#N 62a_100000687738_100000210755 [0,2,0,0,0,0|0,0,2]=4 19408 B13R1.555 Cc1ccccc1SCCCC=O 62a_100000210755_200011292268 [0,2,0,0,0,0|1,0,1]=4 19409 B13R1.555 Cc1ccccc1SCCCC=O 62a_200011292268_100000210755 [0,2,0,0,0,0|1,0,1]=4 19410 B13R1.555 Cc1ccccc1SCCCCF 62a_100000210755_100000729493 [0,2,0,0,0,0|1,0,0]=3 19411 B13R1.555 Cc1ccccc1SCCCCF 62a_100000729493_100000210755 [0,2,0,0,0,0|1,0,0]=3 19412 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210755_100000210776 [0,2,0,0,0,0|1,0,0]=3 19413 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210776_100000210755 [0,2,0,0,0,0|1,0,0]=3 19414 B13R1.555 Cc1cccnc1CCOCCF 34a_100011997706_100011217306 [0,2,0,0,0,0|2,0,0]=4 19415 B13R1.555 Cc1cccnc1CCOCCF 7a_100011997706_100011217306 [0,2,0,0,0,0|2,0,0]=4 19416 B13R1.555 Cc1cccnc1CCOCCO 34a_100011997706_100000211926 [0,2,0,0,0,0|2,0,0]=4 19417 B13R1.555 Cc1cccnc1CCOCCO 7a_100011997706_100000211926 [0,2,0,0,0,0|2,0,0]=4 19418 B13R1.555 Cc1cccnc1CNCCCF 207a_100015189416_100000698913 [0,2,0,0,0,0|2,0,0]=4 19419 B13R1.555 Cc1cccnc1CNCCCF 2230a_100015189416_100000696600 [0,2,0,0,0,0|2,0,0]=4 19420 B13R1.555 Cc1cccnc1CNCCCF 270004a_100015189416_100000698913 [0,2,0,0,0,0|2,0,0]=4 19421 B13R1.555 Cc1cccnc1CNCCCF 34a_100011223789_100011934791 [0,2,0,0,0,0|2,0,0]=4 19422 B13R1.555 Cc1cccnc1CNCCCF 34a_100015189416_100000696600 [0,2,0,0,0,0|2,0,0]=4 19423 B13R1.555 Cc1cccnc1CNCCCO 207a_100000182051_100000698913 [0,2,0,0,0,0|2,0,0]=4 19424 B13R1.555 Cc1cccnc1CNCCCO 270004a_100000182051_100000698913 [0,2,0,0,0,0|2,0,0]=4 19425 B13R1.555 Cc1cccnc1CNCCCO 34a_100011223789_100000230001 [0,2,0,0,0,0|2,0,0]=4 19426 B13R1.555 Cc1cccnc1COCCCBr 34a_100011217188_100000696600 [0,2,0,0,0,0|2,0,0]=4 19427 B13R1.555 Cc1cccnc1COCCCCl 34a_100000230001_100000696600 [0,2,0,0,0,0|2,0,0]=4 19428 B13R1.555 Cc1cccnc1COCCCF 34a_100000698912_100011934791 [0,2,0,0,0,0|2,0,0]=4 19429 B13R1.555 Cc1cccnc1COCCCF 34a_100000759539_100000696600 [0,2,0,0,0,0|2,0,0]=4 19430 B13R1.555 Cc1cccnc1COCCCN 34a_100000182051_100000696600 [0,2,0,0,0,0|1,0,0]=3 19431 B13R1.555 Cc1cccnc1COCCCO 34a_100000698912_100000230001 [0,2,0,0,0,0|2,0,0]=4 19432 B13R1.555 Cc1cccnc1COCCON 34a_100000700252_100000696600 [0,2,0,0,0,0|2,0,0]=4 19433 B13R1.555 Cc1cccnc1CSCCCF 62a_100000696600_100011934791 [0,2,0,0,0,0|2,0,0]=4 19434 B13R1.555 Cc1cccnc1CSCCCF 62a_100011934791_100000696600 [0,2,0,0,0,0|2,0,0]=4 19435 B13R1.555 Cc1cccnc1CSCCCO 62a_100000696600_100011215043 [0,2,0,0,0,0|2,0,0]=4 19436 B13R1.555 Cc1cccnc1CSCCCO 62a_100011215043_100000696600 [0,2,0,0,0,0|2,0,0]=4 19437 B13R1.555 Cc1cccnc1SCCCCF 62a_100000729493_100000751373 [0,2,0,0,0,0|2,0,0]=4 19438 B13R1.555 Cc1cccnc1SCCCCF 62a_100000751373_100000729493 [0,2,0,0,0,0|2,0,0]=4 19439 B13R1.555 Cc1cccnc1SCCCCO 62a_100000210776_100000751373 [0,2,0,0,0,0|2,0,0]=4 19440 B13R1.555 Cc1cccnc1SCCCCO 62a_100000751373_100000210776 [0,2,0,0,0,0|2,0,0]=4 19441 B13R1.555 Cc1ccncc1CNCCCF 207a_100015189416_100000685662 [0,2,0,0,0,0|2,0,0]=4 19442 B13R1.555 Cc1ccncc1CNCCCF 2230a_100015189416_100000690890 [0,2,0,0,0,0|2,0,0]=4 19443 B13R1.555 Cc1ccncc1CNCCCF 270004a_100015189416_100000685662 [0,2,0,0,0,0|2,0,0]=4 19444 B13R1.555 Cc1ccncc1CNCCCF 34a_100015189416_100000690890 [0,2,0,0,0,0|2,0,0]=4 19445 B13R1.555 Cc1ccncc1CNCCCO 207a_100000182051_100000685662 [0,2,0,0,0,0|2,0,0]=4 19446 B13R1.555 Cc1ccncc1CNCCCO 270004a_100000182051_100000685662 [0,2,0,0,0,0|2,0,0]=4 19447 B13R1.555 Cc1ccncc1COCCCBr 34a_100011217188_100000690890 [0,2,0,0,0,0|2,0,0]=4 19448 B13R1.555 Cc1ccncc1COCCCCl 34a_100000230001_100000690890 [0,2,0,0,0,0|2,0,0]=4 19449 B13R1.555 Cc1ccncc1COCCCF 34a_100000759539_100000690890 [0,2,0,0,0,0|2,0,0]=4 19450 B13R1.555 Cc1ccncc1COCCCF 34a_100011996381_100011934791 [0,2,0,0,0,0|2,0,0]=4 19451 B13R1.555 Cc1ccncc1COCCCN 34a_100000182051_100000690890 [0,2,0,0,0,0|1,0,0]=3 19452 B13R1.555 Cc1ccncc1COCCCO 34a_100011996381_100000230001 [0,2,0,0,0,0|2,0,0]=4 19453 B13R1.555 Cc1ccncc1COCCON 34a_100000700252_100000690890 [0,2,0,0,0,0|2,0,0]=4 19454 B13R1.555 Cc1ccncc1CSCCCF 62a_100000690890_100011934791 [0,2,0,0,0,0|2,0,0]=4 19455 B13R1.555 Cc1ccncc1CSCCCF 62a_100011934791_100000690890 [0,2,0,0,0,0|2,0,0]=4 19456 B13R1.555 Cc1ccncc1CSCCCO 62a_100000690890_100011215043 [0,2,0,0,0,0|2,0,0]=4 19457 B13R1.555 Cc1ccncc1CSCCCO 62a_100011215043_100000690890 [0,2,0,0,0,0|2,0,0]=4 19458 B13R1.555 Cc1ccncc1OCCCCF 34a_100011997053_100000729493 [0,2,0,0,0,0|2,0,0]=4 19459 B13R1.555 Cc1ccncc1OCCCCF 7a_100011997053_100000729493 [0,2,0,0,0,0|2,0,0]=4 19460 B13R1.555 Cc1ccncc1OCCCCO 34a_100011997053_100011216708 [0,2,0,0,0,0|2,0,0]=4 19461 B13R1.555 Cc1ccncc1OCCCCO 7a_100011997053_100000210776 [0,2,0,0,0,0|2,0,0]=4 19462 B13R1.555 Cc1ccncc1SCCCCF 62a_100000729493_100000761580 [0,2,0,0,0,0|2,0,0]=4 19463 B13R1.555 Cc1ccncc1SCCCCF 62a_100000761580_100000729493 [0,2,0,0,0,0|2,0,0]=4 19464 B13R1.555 Cc1ccncc1SCCCCO 62a_100000210776_100000761580 [0,2,0,0,0,0|2,0,0]=4 19465 B13R1.555 Cc1ccncc1SCCCCO 62a_100000761580_100000210776 [0,2,0,0,0,0|2,0,0]=4 19466 B13R1.555 Cc1cnccc1CNCCCF 2230a_100015189416_100020672808 [0,2,0,0,0,0|2,0,0]=4 19467 B13R1.555 Cc1cnccc1CNCCCF 34a_100015189416_100020672809 [0,2,0,0,0,0|2,0,0]=4 19468 B13R1.555 Cc1cnccc1COCCCBr 34a_100011217188_100020672809 [0,2,0,0,0,0|2,0,0]=4 19469 B13R1.555 Cc1cnccc1COCCCCl 34a_100000230001_100020672809 [0,2,0,0,0,0|2,0,0]=4 19470 B13R1.555 Cc1cnccc1COCCCF 34a_100000759539_100020672809 [0,2,0,0,0,0|2,0,0]=4 19471 B13R1.555 Cc1cnccc1COCCCF 34a_100011997032_100011934791 [0,2,0,0,0,0|2,0,0]=4 19472 B13R1.555 Cc1cnccc1COCCCN 34a_100000182051_100020672809 [0,2,0,0,0,0|1,0,0]=3 19473 B13R1.555 Cc1cnccc1COCCCO 34a_100011997032_100000230001 [0,2,0,0,0,0|2,0,0]=4 19474 B13R1.555 Cc1cnccc1COCCON 34a_100000700252_100020672809 [0,2,0,0,0,0|2,0,0]=4 19475 B13R1.555 Cc1cnccc1CSCCCF 62a_100011934791_100020672808 [0,2,0,0,0,0|2,0,0]=4 19476 B13R1.555 Cc1cnccc1CSCCCF 62a_100020672808_100011934791 [0,2,0,0,0,0|2,0,0]=4 19477 B13R1.555 Cc1cnccc1CSCCCO 62a_100011215043_100020672808 [0,2,0,0,0,0|2,0,0]=4 19478 B13R1.555 Cc1cnccc1CSCCCO 62a_100020672808_100011215043 [0,2,0,0,0,0|2,0,0]=4 19479 B13R1.555 Cc1cnccc1NCCCCO 27a_100000750430_100000765111 [0,2,0,0,0,0|2,0,0]=4 19480 B13R1.555 Cc1cnccc1OCCCCF 34a_100000694293_100000729493 [0,2,0,0,0,0|2,0,0]=4 19481 B13R1.555 Cc1cnccc1OCCCCO 34a_100000694293_100011216708 [0,2,0,0,0,0|2,0,0]=4 19482 B13R1.555 Cc1cnccc1SCCCCF 62a_100000729493_100000765111 [0,2,0,0,0,0|2,0,0]=4 19483 B13R1.555 Cc1cnccc1SCCCCF 62a_100000765111_100000729493 [0,2,0,0,0,0|2,0,0]=4 19484 B13R1.555 Cc1cnccc1SCCCCO 62a_100000210776_100000765111 [0,2,0,0,0,0|2,0,0]=4 19485 B13R1.555 Cc1cnccc1SCCCCO 62a_100000765111_100000210776 [0,2,0,0,0,0|2,0,0]=4 19486 B13R1.555 Cc1ncccc1CNCCCF 207a_100015189416_100000751968 [0,2,0,0,0,0|2,0,0]=4 19487 B13R1.555 Cc1ncccc1CNCCCF 2230a_100015189416_100000732876 [0,2,0,0,0,0|2,0,0]=4 19488 B13R1.555 Cc1ncccc1CNCCCF 270004a_100015189416_100000751968 [0,2,0,0,0,0|2,0,0]=4 19489 B13R1.555 Cc1ncccc1CNCCCF 34a_100015189416_100000732876 [0,2,0,0,0,0|2,0,0]=4 19490 B13R1.555 Cc1ncccc1CNCCCO 207a_100000182051_100000751968 [0,2,0,0,0,0|2,0,0]=4 19491 B13R1.555 Cc1ncccc1CNCCCO 270004a_100000182051_100000751968 [0,2,0,0,0,0|2,0,0]=4 19492 B13R1.555 Cc1ncccc1COCCCBr 34a_100011217188_100000732876 [0,2,0,0,0,0|2,0,0]=4 19493 B13R1.555 Cc1ncccc1COCCCCl 34a_100000230001_100000732876 [0,2,0,0,0,0|2,0,0]=4 19494 B13R1.555 Cc1ncccc1COCCCF 34a_100000729262_100011934791 [0,2,0,0,0,0|2,0,0]=4 19495 B13R1.555 Cc1ncccc1COCCCF 34a_100000759539_100000732876 [0,2,0,0,0,0|2,0,0]=4 19496 B13R1.555 Cc1ncccc1COCCCF 7a_100000729262_100011934791 [0,2,0,0,0,0|2,0,0]=4 19497 B13R1.555 Cc1ncccc1COCCCN 34a_100000182051_100000732876 [0,2,0,0,0,0|1,0,0]=3 19498 B13R1.555 Cc1ncccc1COCCCO 34a_100000729262_100000230001 [0,2,0,0,0,0|2,0,0]=4 19499 B13R1.555 Cc1ncccc1COCCCO 7a_100000729262_100011215043 [0,2,0,0,0,0|2,0,0]=4 19500 B13R1.555 Cc1ncccc1COCCON 34a_100000700252_100000732876 [0,2,0,0,0,0|2,0,0]=4 19501 B13R1.555 Cc1ncccc1CSCCCF 62a_100000732876_100011934791 [0,2,0,0,0,0|2,0,0]=4 19502 B13R1.555 Cc1ncccc1CSCCCF 62a_100011934791_100000732876 [0,2,0,0,0,0|2,0,0]=4 19503 B13R1.555 Cc1ncccc1CSCCCO 62a_100000732876_100011215043 [0,2,0,0,0,0|2,0,0]=4 19504 B13R1.555 Cc1ncccc1CSCCCO 62a_100011215043_100000732876 [0,2,0,0,0,0|2,0,0]=4 19505 B13R1.555 Cc1ncccc1OCCCCF 34a_100000745507_100000729493 [0,2,0,0,0,0|2,0,0]=4 19506 B13R1.555 Cc1ncccc1OCCCCF 7a_100000745507_100000729493 [0,2,0,0,0,0|2,0,0]=4 19507 B13R1.555 Cc1ncccc1OCCCCO 34a_100000745507_100011216708 [0,2,0,0,0,0|2,0,0]=4 19508 B13R1.555 Cc1ncccc1OCCCCO 7a_100000745507_100000210776 [0,2,0,0,0,0|2,0,0]=4 19509 B13R1.555 Cc1ncccc1SCCCCF 62a_100000729493_100000751574 [0,2,0,0,0,0|2,0,0]=4 19510 B13R1.555 Cc1ncccc1SCCCCF 62a_100000751574_100000729493 [0,2,0,0,0,0|2,0,0]=4 19511 B13R1.555 Cc1ncccc1SCCCCO 62a_100000210776_100000751574 [0,2,0,0,0,0|2,0,0]=4 19512 B13R1.555 Cc1ncccc1SCCCCO 62a_100000751574_100000210776 [0,2,0,0,0,0|2,0,0]=4 19513 B13R1.555 ClCCCOCc1ccccc1Br 34a_100000230001_100000184730 [0,2,0,0,0,0|1,0,0]=3 19514 B13R1.555 ClCCCOCc1ccccc1Cl 34a_100000230001_100000187162 [0,2,0,0,0,0|1,0,0]=3 19515 B13R1.555 ClCCCOCc1ccccc1I 34a_100000230001_100011215278 [0,2,0,0,0,0|1,0,0]=3 19516 B13R1.555 ClCCCOCc1cccnc1Br 34a_100000230001_100010140945 [0,2,0,0,0,0|2,0,0]=4 19517 B13R1.555 ClCCCOCc1cccnc1Cl 34a_100000230001_100000045678 [0,2,0,0,0,0|2,0,0]=4 19518 B13R1.555 ClCCCOCc1ncccc1Br 34a_100000230001_100025702911 [0,2,0,0,0,0|2,0,0]=4 19519 B13R1.555 Clc1ccccc1CCOCCBr 34a_100000211926_100011713703 [0,2,0,0,0,0|1,0,0]=3 19520 B13R1.555 Clc1ccccc1COCCCBr 34a_100011217188_100000187162 [0,2,0,0,0,0|1,0,0]=3 19521 B13R1.555 Clc1ncccc1COCCCBr 34a_100011217188_100000045678 [0,2,0,0,0,0|2,0,0]=4 19522 B13R1.555 FCCCCNc1ccccc1Br 34a_100000210017_100000729493 [0,2,0,0,0,0|1,0,0]=3 19523 B13R1.555 FCCCCNc1ccccc1Cl 34a_100000185783_100000729493 [0,2,0,0,0,0|1,0,0]=3 19524 B13R1.555 FCCCCNc1ccccc1F 34a_100000210422_100000729493 [0,2,0,0,0,0|1,0,0]=3 19525 B13R1.555 FCCCCNc1ccccc1I 34a_100000210053_100000729493 [0,2,0,0,0,0|1,0,0]=3 19526 B13R1.555 FCCCCOc1ccccc1Br 34a_100000181306_100000729493 [0,2,0,0,0,0|1,0,0]=3 19527 B13R1.555 FCCCCOc1ccccc1Br 7a_100000181306_100000729493 [0,2,0,0,0,0|1,0,0]=3 19528 B13R1.555 FCCCCOc1ccccc1Cl 34a_100000210172_100000729493 [0,2,0,0,0,0|1,0,0]=3 19529 B13R1.555 FCCCCOc1ccccc1Cl 7a_100000210172_100000729493 [0,2,0,0,0,0|1,0,0]=3 19530 B13R1.555 FCCCCOc1ccccc1F 34a_100000210171_100000729493 [0,2,0,0,0,0|1,0,0]=3 19531 B13R1.555 FCCCCOc1ccccc1F 7a_100000210171_100000729493 [0,2,0,0,0,0|1,0,0]=3 19532 B13R1.555 FCCCCOc1ccccc1I 34a_100000739446_100000729493 [0,2,0,0,0,0|1,0,0]=3 19533 B13R1.555 FCCCCOc1ccccc1I 7a_100000739446_100000729493 [0,2,0,0,0,0|1,0,0]=3 19534 B13R1.555 FCCCCOc1cccnc1Br 34a_100000744436_100000729493 [0,2,0,0,0,0|2,0,0]=4 19535 B13R1.555 FCCCCOc1cccnc1Br 7a_100000744436_100000729493 [0,2,0,0,0,0|2,0,0]=4 19536 B13R1.555 FCCCCOc1cccnc1Cl 34a_100000757616_100000729493 [0,2,0,0,0,0|2,0,0]=4 19537 B13R1.555 FCCCCOc1cccnc1Cl 7a_100000757616_100000729493 [0,2,0,0,0,0|2,0,0]=4 19538 B13R1.555 FCCCCOc1cccnc1F 34a_100000061740_100000729493 [0,2,0,0,0,0|2,0,0]=4 19539 B13R1.555 FCCCCOc1cccnc1F 7a_100000061740_100000729493 [0,2,0,0,0,0|2,0,0]=4 19540 B13R1.555 FCCCCOc1cccnc1I 34a_100000034122_100000729493 [0,2,0,0,0,0|2,0,0]=4 19541 B13R1.555 FCCCCOc1cccnc1I 7a_100000034122_100000729493 [0,2,0,0,0,0|2,0,0]=4 19542 B13R1.555 FCCCCOc1ccncc1Br 34a_100011996408_100000729493 [0,2,0,0,0,0|2,0,0]=4 19543 B13R1.555 FCCCCOc1ccncc1Cl 34a_100011997054_100000729493 [0,2,0,0,0,0|2,0,0]=4 19544 B13R1.555 FCCCCOc1ccncc1F 34a_200000081243_100000729493 [0,2,0,0,0,0|2,0,0]=4 19545 B13R1.555 FCCCCOc1cnccc1Cl 34a_100011996695_100000729493 [0,2,0,0,0,0|2,0,0]=4 19546 B13R1.555 FCCCCOc1cnccc1I 34a_100000050107_100000729493 [0,2,0,0,0,0|2,0,0]=4 19547 B13R1.555 FCCCCOc1ncccc1Cl 34a_100011290957_100000729493 [0,2,0,0,0,0|2,0,0]=4 19548 B13R1.555 FCCCCOc1ncccc1F 34a_100011219419_100000729493 [0,2,0,0,0,0|2,0,0]=4 19549 B13R1.555 FCCCCSc1c[nH]ccc1=S 62a_100000729493_200012280681 [0,2,0,0,0,0|2,0,0]=4 19550 B13R1.555 FCCCCSc1c[nH]ccc1=S 62a_200012280681_100000729493 [0,2,0,0,0,0|2,0,0]=4 19551 B13R1.555 FCCCCSc1ccccc1Br 62a_100000695589_100000729493 [0,2,0,0,0,0|1,0,0]=3 19552 B13R1.555 FCCCCSc1ccccc1Br 62a_100000729493_100000695589 [0,2,0,0,0,0|1,0,0]=3 19553 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000729493_100000764095 [0,2,0,0,0,0|1,0,0]=3 19554 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000764095_100000729493 [0,2,0,0,0,0|1,0,0]=3 19555 B13R1.555 FCCCCSc1ccccc1F 62a_100000729493_100011215700 [0,2,0,0,0,0|1,0,0]=3 19556 B13R1.555 FCCCCSc1ccccc1F 62a_100011215700_100000729493 [0,2,0,0,0,0|1,0,0]=3 19557 B13R1.555 FCCCCSc1cccnc1Br 62a_100000729493_100010202626 [0,2,0,0,0,0|2,0,0]=4 19558 B13R1.555 FCCCCSc1cccnc1Br 62a_100010202626_100000729493 [0,2,0,0,0,0|2,0,0]=4 19559 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000036424_100000729493 [0,2,0,0,0,0|2,0,0]=4 19560 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000729493_100000036424 [0,2,0,0,0,0|2,0,0]=4 19561 B13R1.555 FCCCCSc1cccnc1F 62a_100000729493_100009816115 [0,2,0,0,0,0|2,0,0]=4 19562 B13R1.555 FCCCCSc1cccnc1F 62a_100009816115_100000729493 [0,2,0,0,0,0|2,0,0]=4 19563 B13R1.555 FCCCCSc1ccncc1Br 62a_100000726257_100000729493 [0,2,0,0,0,0|2,0,0]=4 19564 B13R1.555 FCCCCSc1ccncc1Br 62a_100000729493_100000726257 [0,2,0,0,0,0|2,0,0]=4 19565 B13R1.555 FCCCCSc1ccncc1Cl 62a_100000708259_100000729493 [0,2,0,0,0,0|2,0,0]=4 19566 B13R1.555 FCCCCSc1ccncc1Cl 62a_100000729493_100000708259 [0,2,0,0,0,0|2,0,0]=4 19567 B13R1.555 FCCCCSc1ccncc1F 62a_100000047030_100000729493 [0,2,0,0,0,0|2,0,0]=4 19568 B13R1.555 FCCCCSc1ccncc1F 62a_100000729493_100000047030 [0,2,0,0,0,0|2,0,0]=4 19569 B13R1.555 FCCCCSc1cnccc1Br 62a_100000729493_100010138639 [0,2,0,0,0,0|2,0,0]=4 19570 B13R1.555 FCCCCSc1cnccc1Br 62a_100010138639_100000729493 [0,2,0,0,0,0|2,0,0]=4 19571 B13R1.555 FCCCCSc1cnccc1Cl 62a_100000729493_100009995489 [0,2,0,0,0,0|2,0,0]=4 19572 B13R1.555 FCCCCSc1cnccc1Cl 62a_100009995489_100000729493 [0,2,0,0,0,0|2,0,0]=4 19573 B13R1.555 FCCCCSc1cnccc1F 62a_100000729493_100009820683 [0,2,0,0,0,0|2,0,0]=4 19574 B13R1.555 FCCCCSc1cnccc1F 62a_100009820683_100000729493 [0,2,0,0,0,0|2,0,0]=4 19575 B13R1.555 FCCCCSc1ncccc1Br 62a_100000696092_100000729493 [0,2,0,0,0,0|2,0,0]=4 19576 B13R1.555 FCCCCSc1ncccc1Br 62a_100000729493_100000696092 [0,2,0,0,0,0|2,0,0]=4 19577 B13R1.555 FCCCCSc1ncccc1Cl 62a_100000729493_100011356963 [0,2,0,0,0,0|2,0,0]=4 19578 B13R1.555 FCCCCSc1ncccc1Cl 62a_100011356963_100000729493 [0,2,0,0,0,0|2,0,0]=4 19579 B13R1.555 FCCCCSc1ncccc1F 62a_100000685392_100000729493 [0,2,0,0,0,0|2,0,0]=4 19580 B13R1.555 FCCCCSc1ncccc1F 62a_100000729493_100000685392 [0,2,0,0,0,0|2,0,0]=4 19581 B13R1.555 FCCCNCc1ccccc1Br 207a_100015189416_100000211189 [0,2,0,0,0,0|1,0,0]=3 19582 B13R1.555 FCCCNCc1ccccc1Br 2230a_100000689332_100011934791 [0,2,0,0,0,0|1,0,0]=3 19583 B13R1.555 FCCCNCc1ccccc1Br 2230a_100015189416_100000184730 [0,2,0,0,0,0|1,0,0]=3 19584 B13R1.555 FCCCNCc1ccccc1Br 270004a_100015189416_100000211189 [0,2,0,0,0,0|1,0,0]=3 19585 B13R1.555 FCCCNCc1ccccc1Br 34a_100000689332_100011934791 [0,2,0,0,0,0|1,0,0]=3 19586 B13R1.555 FCCCNCc1ccccc1Br 34a_100015189416_100000184730 [0,2,0,0,0,0|1,0,0]=3 19587 B13R1.555 FCCCNCc1ccccc1Cl 207a_100015189416_100000210073 [0,2,0,0,0,0|1,0,0]=3 19588 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100000174879_100011934791 [0,2,0,0,0,0|1,0,0]=3 19589 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100015189416_100000187162 [0,2,0,0,0,0|1,0,0]=3 19590 B13R1.555 FCCCNCc1ccccc1Cl 270004a_100015189416_100000210073 [0,2,0,0,0,0|1,0,0]=3 19591 B13R1.555 FCCCNCc1ccccc1Cl 34a_100000174879_100011934791 [0,2,0,0,0,0|1,0,0]=3 19592 B13R1.555 FCCCNCc1ccccc1Cl 34a_100015189416_100000187162 [0,2,0,0,0,0|1,0,0]=3 19593 B13R1.555 FCCCNCc1ccccc1F 207a_100015189416_100000210811 [0,2,0,0,0,0|1,0,0]=3 19594 B13R1.555 FCCCNCc1ccccc1F 2230a_100015189416_100000211605 [0,2,0,0,0,0|1,0,0]=3 19595 B13R1.555 FCCCNCc1ccccc1F 270004a_100015189416_100000210811 [0,2,0,0,0,0|1,0,0]=3 19596 B13R1.555 FCCCNCc1ccccc1F 34a_100000174869_100011934791 [0,2,0,0,0,0|1,0,0]=3 19597 B13R1.555 FCCCNCc1ccccc1F 34a_100015189416_100000211605 [0,2,0,0,0,0|1,0,0]=3 19598 B13R1.555 FCCCNCc1ccccc1I 207a_100015189416_100000010305 [0,2,0,0,0,0|1,0,0]=3 19599 B13R1.555 FCCCNCc1ccccc1I 2230a_100015189416_100011215278 [0,2,0,0,0,0|1,0,0]=3 19600 B13R1.555 FCCCNCc1ccccc1I 270004a_100015189416_100000010305 [0,2,0,0,0,0|1,0,0]=3 19601 B13R1.555 FCCCNCc1ccccc1I 34a_100015189416_100011215278 [0,2,0,0,0,0|1,0,0]=3 19602 B13R1.555 FCCCNCc1cccnc1Br 2230a_100009818023_100011934791 [0,2,0,0,0,0|2,0,0]=4 19603 B13R1.555 FCCCNCc1cccnc1Br 2230a_100015189416_100010140945 [0,2,0,0,0,0|2,0,0]=4 19604 B13R1.555 FCCCNCc1cccnc1Br 34a_100009818023_100011934791 [0,2,0,0,0,0|2,0,0]=4 19605 B13R1.555 FCCCNCc1cccnc1Br 34a_100015189416_100010140945 [0,2,0,0,0,0|2,0,0]=4 19606 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189234_100011934791 [0,2,0,0,0,0|2,0,0]=4 19607 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189416_100000045678 [0,2,0,0,0,0|2,0,0]=4 19608 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189234_100011934791 [0,2,0,0,0,0|2,0,0]=4 19609 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189416_100000045678 [0,2,0,0,0,0|2,0,0]=4 19610 B13R1.555 FCCCNCc1cccnc1F 2230a_100015189416_100000099810 [0,2,0,0,0,0|2,0,0]=4 19611 B13R1.555 FCCCNCc1cccnc1F 34a_100000724633_100011934791 [0,2,0,0,0,0|2,0,0]=4 19612 B13R1.555 FCCCNCc1cccnc1F 34a_100015189416_100000099810 [0,2,0,0,0,0|2,0,0]=4 19613 B13R1.555 FCCCNCc1ccncc1Br 270004a_100015189416_100000755692 [0,2,0,0,0,0|2,0,0]=4 19614 B13R1.555 FCCCNCc1ccncc1Cl 207a_100015189416_100011934409 [0,2,0,0,0,0|2,0,0]=4 19615 B13R1.555 FCCCNCc1ccncc1Cl 2230a_100015189416_100000763264 [0,2,0,0,0,0|2,0,0]=4 19616 B13R1.555 FCCCNCc1ccncc1Cl 270004a_100015189416_100011934409 [0,2,0,0,0,0|2,0,0]=4 19617 B13R1.555 FCCCNCc1ccncc1F 34a_100011935246_100011934791 [0,2,0,0,0,0|2,0,0]=4 19618 B13R1.555 FCCCNCc1cnccc1Br 270004a_100015189416_100009816821 [0,2,0,0,0,0|2,0,0]=4 19619 B13R1.555 FCCCNCc1cnccc1Cl 270004a_100015189416_100000050567 [0,2,0,0,0,0|2,0,0]=4 19620 B13R1.555 FCCCNCc1ncccc1Br 207a_100015189416_100011934733 [0,2,0,0,0,0|2,0,0]=4 19621 B13R1.555 FCCCNCc1ncccc1Br 2230a_100015189416_100025702911 [0,2,0,0,0,0|2,0,0]=4 19622 B13R1.555 FCCCNCc1ncccc1Br 270004a_100015189416_100011934733 [0,2,0,0,0,0|2,0,0]=4 19623 B13R1.555 FCCCNCc1ncccc1Br 34a_100015189416_100025702911 [0,2,0,0,0,0|2,0,0]=4 19624 B13R1.555 FCCCNCc1ncccc1Cl 207a_100015189416_100012001307 [0,2,0,0,0,0|2,0,0]=4 19625 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189233_100011934791 [0,2,0,0,0,0|2,0,0]=4 19626 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189416_100000099807 [0,2,0,0,0,0|2,0,0]=4 19627 B13R1.555 FCCCNCc1ncccc1Cl 270004a_100015189416_100012001307 [0,2,0,0,0,0|2,0,0]=4 19628 B13R1.555 FCCCNCc1ncccc1F 207a_100015189416_100011934734 [0,2,0,0,0,0|2,0,0]=4 19629 B13R1.555 FCCCNCc1ncccc1F 2230a_100015189416_100000104219 [0,2,0,0,0,0|2,0,0]=4 19630 B13R1.555 FCCCNCc1ncccc1F 270004a_100015189416_100011934734 [0,2,0,0,0,0|2,0,0]=4 19631 B13R1.555 FCCCNCc1ncccc1F 34a_100000690088_100011934791 [0,2,0,0,0,0|2,0,0]=4 19632 B13R1.555 FCCCNCc1ncccc1F 34a_100015189416_100000104219 [0,2,0,0,0,0|2,0,0]=4 19633 B13R1.555 FCCCOCc1ccccc1Br 34a_100000756307_100011934791 [0,2,0,0,0,0|1,0,0]=3 19634 B13R1.555 FCCCOCc1ccccc1Br 34a_100000759539_100000184730 [0,2,0,0,0,0|1,0,0]=3 19635 B13R1.555 FCCCOCc1ccccc1Br 7a_100000756307_100011934791 [0,2,0,0,0,0|1,0,0]=3 19636 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000210847_100011934791 [0,2,0,0,0,0|1,0,0]=3 19637 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000759539_100000187162 [0,2,0,0,0,0|1,0,0]=3 19638 B13R1.555 FCCCOCc1ccccc1Cl 7a_100000210847_100011934791 [0,2,0,0,0,0|1,0,0]=3 19639 B13R1.555 FCCCOCc1ccccc1F 34a_100000211962_100011934791 [0,2,0,0,0,0|1,0,0]=3 19640 B13R1.555 FCCCOCc1ccccc1F 34a_100000759539_100000211605 [0,2,0,0,0,0|1,0,0]=3 19641 B13R1.555 FCCCOCc1ccccc1F 7a_100000211962_100011934791 [0,2,0,0,0,0|1,0,0]=3 19642 B13R1.555 FCCCOCc1ccccc1I 34a_100000187465_100011934791 [0,2,0,0,0,0|1,0,0]=3 19643 B13R1.555 FCCCOCc1ccccc1I 34a_100000759539_100011215278 [0,2,0,0,0,0|1,0,0]=3 19644 B13R1.555 FCCCOCc1ccccc1I 7a_100000187465_100011934791 [0,2,0,0,0,0|1,0,0]=3 19645 B13R1.555 FCCCOCc1cccnc1Br 34a_100000719692_100011934791 [0,2,0,0,0,0|2,0,0]=4 19646 B13R1.555 FCCCOCc1cccnc1Br 34a_100000759539_100010140945 [0,2,0,0,0,0|2,0,0]=4 19647 B13R1.555 FCCCOCc1cccnc1Br 7a_100000719692_100011934791 [0,2,0,0,0,0|2,0,0]=4 19648 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000748726_100011934791 [0,2,0,0,0,0|2,0,0]=4 19649 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000759539_100000045678 [0,2,0,0,0,0|2,0,0]=4 19650 B13R1.555 FCCCOCc1cccnc1Cl 7a_100000748726_100011934791 [0,2,0,0,0,0|2,0,0]=4 19651 B13R1.555 FCCCOCc1cccnc1F 34a_100000079888_100011934791 [0,2,0,0,0,0|2,0,0]=4 19652 B13R1.555 FCCCOCc1cccnc1F 34a_100000759539_100000099810 [0,2,0,0,0,0|2,0,0]=4 19653 B13R1.555 FCCCOCc1cccnc1F 7a_100000079888_100011934791 [0,2,0,0,0,0|2,0,0]=4 19654 B13R1.555 FCCCOCc1ccncc1F 34a_100012172863_100011934791 [0,2,0,0,0,0|2,0,0]=4 19655 B13R1.555 FCCCOCc1cnccc1Cl 34a_100000117392_100011934791 [0,2,0,0,0,0|2,0,0]=4 19656 B13R1.555 FCCCOCc1ncccc1Br 34a_100000759539_100025702911 [0,2,0,0,0,0|2,0,0]=4 19657 B13R1.555 FCCCOCc1ncccc1Br 34a_100011996772_100011934791 [0,2,0,0,0,0|2,0,0]=4 19658 B13R1.555 FCCCOCc1ncccc1Cl 34a_100012002383_100011934791 [0,2,0,0,0,0|2,0,0]=4 19659 B13R1.555 FCCCOCc1ncccc1F 34a_100000759539_100000104219 [0,2,0,0,0,0|2,0,0]=4 19660 B13R1.555 FCCCOCc1ncccc1F 34a_100011934865_100011934791 [0,2,0,0,0,0|2,0,0]=4 19661 B13R1.555 FCCCSCc1ccccc1Br 62a_100000184730_100011934791 [0,2,0,0,0,0|1,0,0]=3 19662 B13R1.555 FCCCSCc1ccccc1Br 62a_100011934791_100000184730 [0,2,0,0,0,0|1,0,0]=3 19663 B13R1.555 FCCCSCc1ccccc1Cl 62a_100000187162_100011934791 [0,2,0,0,0,0|1,0,0]=3 19664 B13R1.555 FCCCSCc1ccccc1Cl 62a_100011934791_100000187162 [0,2,0,0,0,0|1,0,0]=3 19665 B13R1.555 FCCCSCc1ccccc1F 62a_100000211605_100011934791 [0,2,0,0,0,0|1,0,0]=3 19666 B13R1.555 FCCCSCc1ccccc1F 62a_100011934791_100000211605 [0,2,0,0,0,0|1,0,0]=3 19667 B13R1.555 FCCCSCc1ccccc1I 62a_100011216222_100011934791 [0,2,0,0,0,0|1,0,0]=3 19668 B13R1.555 FCCCSCc1ccccc1I 62a_100011934791_100011216222 [0,2,0,0,0,0|1,0,0]=3 19669 B13R1.555 FCCCSCc1cccnc1Br 62a_100010140945_100011934791 [0,2,0,0,0,0|2,0,0]=4 19670 B13R1.555 FCCCSCc1cccnc1Br 62a_100011934791_100010140945 [0,2,0,0,0,0|2,0,0]=4 19671 B13R1.555 FCCCSCc1cccnc1Cl 62a_100000045678_100011934791 [0,2,0,0,0,0|2,0,0]=4 19672 B13R1.555 FCCCSCc1cccnc1Cl 62a_100011934791_100000045678 [0,2,0,0,0,0|2,0,0]=4 19673 B13R1.555 FCCCSCc1cccnc1F 62a_100000099810_100011934791 [0,2,0,0,0,0|2,0,0]=4 19674 B13R1.555 FCCCSCc1cccnc1F 62a_100011934791_100000099810 [0,2,0,0,0,0|2,0,0]=4 19675 B13R1.555 FCCCSCc1ccncc1Cl 62a_100000763264_100011934791 [0,2,0,0,0,0|2,0,0]=4 19676 B13R1.555 FCCCSCc1ccncc1Cl 62a_100011934791_100000763264 [0,2,0,0,0,0|2,0,0]=4 19677 B13R1.555 FCCCSCc1ncccc1Br 62a_100011934791_100025702911 [0,2,0,0,0,0|2,0,0]=4 19678 B13R1.555 FCCCSCc1ncccc1Br 62a_100025702911_100011934791 [0,2,0,0,0,0|2,0,0]=4 19679 B13R1.555 FCCCSCc1ncccc1Cl 62a_100000099807_100011934791 [0,2,0,0,0,0|2,0,0]=4 19680 B13R1.555 FCCCSCc1ncccc1Cl 62a_100011934791_100000099807 [0,2,0,0,0,0|2,0,0]=4 19681 B13R1.555 FCCCSCc1ncccc1F 62a_100000104219_100011934791 [0,2,0,0,0,0|2,0,0]=4 19682 B13R1.555 FCCCSCc1ncccc1F 62a_100011934791_100000104219 [0,2,0,0,0,0|2,0,0]=4 19683 B13R1.555 FCCNCCc1ccccc1Br 2230a_100000747383_100011217306 [0,2,0,0,0,0|1,0,0]=3 19684 B13R1.555 FCCNCCc1ccccc1Br 34a_100000724931_100012161201 [0,2,0,0,0,0|1,0,0]=3 19685 B13R1.555 FCCNCCc1ccccc1Br 34a_100000747383_100011217306 [0,2,0,0,0,0|1,0,0]=3 19686 B13R1.555 FCCNCCc1ccccc1Cl 2230a_100011207228_100011217306 [0,2,0,0,0,0|1,0,0]=3 19687 B13R1.555 FCCNCCc1ccccc1Cl 34a_100000724931_100011713703 [0,2,0,0,0,0|1,0,0]=3 19688 B13R1.555 FCCNCCc1ccccc1Cl 34a_100011207228_100011217306 [0,2,0,0,0,0|1,0,0]=3 19689 B13R1.555 FCCNCCc1ccccc1F 2230a_100000185272_100011217306 [0,2,0,0,0,0|1,0,0]=3 19690 B13R1.555 FCCNCCc1ccccc1F 34a_100000185272_100011217306 [0,2,0,0,0,0|1,0,0]=3 19691 B13R1.555 FCCNCCc1ccccc1F 34a_100000724931_100000720011 [0,2,0,0,0,0|1,0,0]=3 19692 B13R1.555 FCCOCCc1ccccc1Br 34a_100000731337_100011217306 [0,2,0,0,0,0|1,0,0]=3 19693 B13R1.555 FCCOCCc1ccccc1Br 7a_100000731337_100011217306 [0,2,0,0,0,0|1,0,0]=3 19694 B13R1.555 FCCOCCc1ccccc1Cl 34a_100011215284_100011217306 [0,2,0,0,0,0|1,0,0]=3 19695 B13R1.555 FCCOCCc1ccccc1Cl 7a_100011215284_100011217306 [0,2,0,0,0,0|1,0,0]=3 19696 B13R1.555 FCCOCCc1ccccc1F 34a_100000753711_100011217306 [0,2,0,0,0,0|1,0,0]=3 19697 B13R1.555 FCCOCCc1ccccc1F 7a_100000753711_100011217306 [0,2,0,0,0,0|1,0,0]=3 19698 B13R1.555 FCCOCCc1ccccc1I 34a_100010255290_100011217306 [0,2,0,0,0,0|1,0,0]=3 19699 B13R1.555 FCCOCCc1ccccc1I 7a_100010255290_100011217306 [0,2,0,0,0,0|1,0,0]=3 19700 B13R1.555 FCCSCCc1ccccc1Br 62a_100011217306_100012161201 [0,2,0,0,0,0|1,0,0]=3 19701 B13R1.555 FCCSCCc1ccccc1Br 62a_100012161201_100011217306 [0,2,0,0,0,0|1,0,0]=3 19702 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011217306_100011713703 [0,2,0,0,0,0|1,0,0]=3 19703 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011713703_100011217306 [0,2,0,0,0,0|1,0,0]=3 19704 B13R1.555 FCCSCCc1ccccc1F 62a_100011217306_100011713696 [0,2,0,0,0,0|1,0,0]=3 19705 B13R1.555 FCCSCCc1ccccc1F 62a_100011713696_100011217306 [0,2,0,0,0,0|1,0,0]=3 19706 B13R1.555 FCNCCCc1ccccc1F 34a_100000724733_100015361967 [0,2,0,0,0,0|1,0,0]=3 19707 B13R1.555 FCNCCOc1ccccc1Br 34a_100000744007_100015361967 [0,2,0,0,0,0|2,0,0]=4 19708 B13R1.555 FCNCCOc1ccccc1Cl 34a_100000174932_100015361967 [0,2,0,0,0,0|2,0,0]=4 19709 B13R1.555 FCNCCOc1ccccc1F 34a_100000683764_100015361967 [0,2,0,0,0,0|2,0,0]=4 19710 B13R1.555 FCOCCCc1ccccc1Br 34a_100000699526_100015361967 [0,2,0,0,0,0|1,0,0]=3 19711 B13R1.555 FCOCCCc1ccccc1Br 7a_100000699526_100015361967 [0,2,0,0,0,0|1,0,0]=3 19712 B13R1.555 FCOCCCc1ccccc1Cl 34a_100011709251_100015361967 [0,2,0,0,0,0|1,0,0]=3 19713 B13R1.555 FCOCCCc1ccccc1Cl 7a_100011709251_100015361967 [0,2,0,0,0,0|1,0,0]=3 19714 B13R1.555 FCOCCCc1ccccc1F 34a_100011709249_100015361967 [0,2,0,0,0,0|1,0,0]=3 19715 B13R1.555 FCOCCCc1ccccc1F 7a_100011709249_100015361967 [0,2,0,0,0,0|1,0,0]=3 19716 B13R1.555 FCOCCOc1ccccc1Br 34a_100000230753_100015361967 [0,2,0,0,0,0|2,0,0]=4 19717 B13R1.555 FCOCCOc1ccccc1Br 7a_100000230753_100015361967 [0,2,0,0,0,0|2,0,0]=4 19718 B13R1.555 FCOCCOc1ccccc1Cl 34a_200000230518_100015361967 [0,2,0,0,0,0|2,0,0]=4 19719 B13R1.555 FCOCCOc1ccccc1Cl 7a_200000230518_100015361967 [0,2,0,0,0,0|2,0,0]=4 19720 B13R1.555 FCOCCOc1ccccc1F 34a_100000756447_100015361967 [0,2,0,0,0,0|2,0,0]=4 19721 B13R1.555 FCOCCOc1ccccc1F 7a_100000756447_100015361967 [0,2,0,0,0,0|2,0,0]=4 19722 B13R1.555 FCOCCSc1ccccc1Br 34a_200000230852_100015361967 [0,2,0,0,0,0|2,0,0]=4 19723 B13R1.555 FCOCCSc1ccccc1Br 7a_200000230852_100015361967 [0,2,0,0,0,0|2,0,0]=4 19724 B13R1.555 FCOCCSc1ccccc1Cl 34a_200000230572_100015361967 [0,2,0,0,0,0|2,0,0]=4 19725 B13R1.555 FCOCCSc1ccccc1Cl 7a_200000230572_100015361967 [0,2,0,0,0,0|2,0,0]=4 19726 B13R1.555 FCOCCSc1ccccc1F 34a_200000230732_100015361967 [0,2,0,0,0,0|2,0,0]=4 19727 B13R1.555 FCOCCSc1ccccc1F 7a_200000230732_100015361967 [0,2,0,0,0,0|2,0,0]=4 19728 B13R1.555 FCSCCCc1ccccc1Br 62a_100015361967_200011713681 [0,2,0,0,0,0|1,0,0]=3 19729 B13R1.555 FCSCCCc1ccccc1Br 62a_200011713681_100015361967 [0,2,0,0,0,0|1,0,0]=3 19730 B13R1.555 FCSCCOc1ccccc1Br 62a_100000695877_100015361967 [0,2,0,0,0,0|2,0,0]=4 19731 B13R1.555 FCSCCOc1ccccc1Br 62a_100015361967_100000695877 [0,2,0,0,0,0|2,0,0]=4 19732 B13R1.555 FCSCCOc1ccccc1F 62a_100000183290_100015361967 [0,2,0,0,0,0|2,0,0]=4 19733 B13R1.555 FCSCCOc1ccccc1F 62a_100015361967_100000183290 [0,2,0,0,0,0|2,0,0]=4 19734 B13R1.555 Fc1ccccc1CCOCCBr 34a_100000211926_100000720011 [0,2,0,0,0,0|1,0,0]=3 19735 B13R1.555 Fc1ccccc1COCCCBr 34a_100011217188_100000211605 [0,2,0,0,0,0|1,0,0]=3 19736 B13R1.555 Fc1ccccc1COCCCCl 34a_100000230001_100000211605 [0,2,0,0,0,0|1,0,0]=3 19737 B13R1.555 Fc1cccnc1COCCCBr 34a_100011217188_100000104219 [0,2,0,0,0,0|2,0,0]=4 19738 B13R1.555 Fc1cccnc1COCCCCl 34a_100000230001_100000104219 [0,2,0,0,0,0|2,0,0]=4 19739 B13R1.555 Fc1ncccc1COCCCBr 34a_100011217188_100000099810 [0,2,0,0,0,0|2,0,0]=4 19740 B13R1.555 Fc1ncccc1COCCCCl 34a_100000230001_100000099810 [0,2,0,0,0,0|2,0,0]=4 19741 B13R1.555 N#CCCCOc1ccccc1Br 7a_100000181306_100000687738 [0,2,0,0,0,0|0,0,2]=4 19742 B13R1.555 N#CCCCOc1ccccc1Cl 7a_100000210172_100000687738 [0,2,0,0,0,0|0,0,2]=4 19743 B13R1.555 N#CCCCOc1ccccc1F 7a_100000210171_100000687738 [0,2,0,0,0,0|0,0,2]=4 19744 B13R1.555 N#CCCCOc1ccccc1I 7a_100000739446_100000687738 [0,2,0,0,0,0|0,0,2]=4 19745 B13R1.555 N#CCCCOc1ccccc1N 7a_100000185747_100000687738 [0,2,0,0,0,0|0,0,2]=4 19746 B13R1.555 N#CCCCSc1ccccc1Br 62a_100000687738_100000695589 [0,2,0,0,0,0|0,0,2]=4 19747 B13R1.555 N#CCCCSc1ccccc1Br 62a_100000695589_100000687738 [0,2,0,0,0,0|0,0,2]=4 19748 B13R1.555 N#CCCCSc1ccccc1Cl 62a_100000687738_100000764095 [0,2,0,0,0,0|0,0,2]=4 19749 B13R1.555 N#CCCCSc1ccccc1Cl 62a_100000764095_100000687738 [0,2,0,0,0,0|0,0,2]=4 19750 B13R1.555 N#CCCCSc1ccccc1F 62a_100000687738_100011215700 [0,2,0,0,0,0|0,0,2]=4 19751 B13R1.555 N#CCCCSc1ccccc1F 62a_100011215700_100000687738 [0,2,0,0,0,0|0,0,2]=4 19752 B13R1.555 N#CCCCSc1ccccc1N 62a_100000210017_100000687738 [0,2,0,0,0,0|0,0,2]=4 19753 B13R1.555 N#CCCCSc1ccccc1N 62a_100000687738_100000210017 [0,2,0,0,0,0|0,0,2]=4 19754 B13R1.555 N#CCCCSc1ccccc1O 62a_100000687738_100000739446 [0,2,0,0,0,0|0,0,2]=4 19755 B13R1.555 N#CCCCSc1ccccc1O 62a_100000739446_100000687738 [0,2,0,0,0,0|0,0,2]=4 19756 B13R1.555 N#CCCNCc1ccccc1Br 2230a_100000689332_100011215226 [0,2,0,0,0,0|0,0,2]=4 19757 B13R1.555 N#CCCNCc1ccccc1Br 270004a_100000720768_100000211189 [0,2,0,0,0,0|0,0,2]=4 19758 B13R1.555 N#CCCNCc1ccccc1Cl 2230a_100000174879_100011215226 [0,2,0,0,0,0|0,0,2]=4 19759 B13R1.555 N#CCCNCc1ccccc1Cl 270004a_100000720768_100000210073 [0,2,0,0,0,0|0,0,2]=4 19760 B13R1.555 N#CCCNCc1ccccc1F 270004a_100000720768_100000210811 [0,2,0,0,0,0|0,0,2]=4 19761 B13R1.555 N#CCCNCc1ccccc1I 270004a_100000720768_100000010305 [0,2,0,0,0,0|0,0,2]=4 19762 B13R1.555 N#CCCOCc1ccccc1Br 7a_100000756307_100000184422 [0,2,0,0,0,0|0,0,2]=4 19763 B13R1.555 N#CCCOCc1ccccc1Cl 7a_100000210847_100000184422 [0,2,0,0,0,0|0,0,2]=4 19764 B13R1.555 N#CCCOCc1ccccc1F 7a_100000211962_100000184422 [0,2,0,0,0,0|0,0,2]=4 19765 B13R1.555 N#CCCOCc1ccccc1I 7a_100000187465_100000184422 [0,2,0,0,0,0|0,0,2]=4 19766 B13R1.555 N#CCCSCc1ccccc1Br 62a_100000184730_100011215226 [0,2,0,0,0,0|0,0,2]=4 19767 B13R1.555 N#CCCSCc1ccccc1Br 62a_100011215226_100000184730 [0,2,0,0,0,0|0,0,2]=4 19768 B13R1.555 N#CCCSCc1ccccc1Cl 62a_100000187162_100011215226 [0,2,0,0,0,0|0,0,2]=4 19769 B13R1.555 N#CCCSCc1ccccc1Cl 62a_100011215226_100000187162 [0,2,0,0,0,0|0,0,2]=4 19770 B13R1.555 N#CCCSCc1ccccc1F 62a_100000211605_100011215226 [0,2,0,0,0,0|0,0,2]=4 19771 B13R1.555 N#CCCSCc1ccccc1F 62a_100011215226_100000211605 [0,2,0,0,0,0|0,0,2]=4 19772 B13R1.555 N#CCCSCc1ccccc1I 62a_100011215226_100011216222 [0,2,0,0,0,0|0,0,2]=4 19773 B13R1.555 N#CCCSCc1ccccc1I 62a_100011216222_100011215226 [0,2,0,0,0,0|0,0,2]=4 19774 B13R1.555 N#CCNCCc1ccccc1Br 2230a_100000747383_100011215382 [0,2,0,0,0,0|0,0,2]=4 19775 B13R1.555 N#CCNCCc1ccccc1Cl 2230a_100011207228_100011215382 [0,2,0,0,0,0|0,0,2]=4 19776 B13R1.555 N#CCNCCc1ccccc1F 2230a_100000185272_100011215382 [0,2,0,0,0,0|0,0,2]=4 19777 B13R1.555 N#CCOCCc1ccccc1Br 7a_100000731337_100011215382 [0,2,0,0,0,0|0,0,2]=4 19778 B13R1.555 N#CCOCCc1ccccc1Cl 7a_100011215284_100011215382 [0,2,0,0,0,0|0,0,2]=4 19779 B13R1.555 N#CCOCCc1ccccc1F 7a_100000753711_100011215382 [0,2,0,0,0,0|0,0,2]=4 19780 B13R1.555 N#CCOCCc1ccccc1I 7a_100010255290_100011215382 [0,2,0,0,0,0|0,0,2]=4 19781 B13R1.555 N#CCSCCc1ccccc1Br 62a_100011215382_100012161201 [0,2,0,0,0,0|0,0,2]=4 19782 B13R1.555 N#CCSCCc1ccccc1Br 62a_100012161201_100011215382 [0,2,0,0,0,0|0,0,2]=4 19783 B13R1.555 N#CCSCCc1ccccc1Cl 62a_100011215382_100011713703 [0,2,0,0,0,0|0,0,2]=4 19784 B13R1.555 N#CCSCCc1ccccc1Cl 62a_100011713703_100011215382 [0,2,0,0,0,0|0,0,2]=4 19785 B13R1.555 N#CCSCCc1ccccc1F 62a_100011215382_100011713696 [0,2,0,0,0,0|0,0,2]=4 19786 B13R1.555 N#CCSCCc1ccccc1F 62a_100011713696_100011215382 [0,2,0,0,0,0|0,0,2]=4 19787 B13R1.555 N#CCSCCc1ccccc1O 62a_100000722297_100011215382 [0,2,0,0,0,0|0,0,2]=4 19788 B13R1.555 N#CCSCCc1ccccc1O 62a_100011215382_100000722297 [0,2,0,0,0,0|0,0,2]=4 19789 B13R1.555 NCCCOCc1ccccc1Br 34a_100000182051_100000184730 [0,2,0,0,0,0|0,0,0]=2 19790 B13R1.555 NCCCOCc1ccccc1Cl 34a_100000182051_100000187162 [0,2,0,0,0,0|0,0,0]=2 19791 B13R1.555 NCCCOCc1ccccc1F 34a_100000182051_100000211605 [0,2,0,0,0,0|0,0,0]=2 19792 B13R1.555 NCCCOCc1ccccc1I 34a_100000182051_100011215278 [0,2,0,0,0,0|0,0,0]=2 19793 B13R1.555 NCCCOCc1cccnc1Br 34a_100000182051_100010140945 [0,2,0,0,0,0|1,0,0]=3 19794 B13R1.555 NCCCOCc1cccnc1Cl 34a_100000182051_100000045678 [0,2,0,0,0,0|1,0,0]=3 19795 B13R1.555 NCCCOCc1cccnc1F 34a_100000182051_100000099810 [0,2,0,0,0,0|1,0,0]=3 19796 B13R1.555 NCCCOCc1ncccc1Br 34a_100000182051_100025702911 [0,2,0,0,0,0|1,0,0]=3 19797 B13R1.555 NCCCOCc1ncccc1F 34a_100000182051_100000104219 [0,2,0,0,0,0|1,0,0]=3 19798 B13R1.555 NCCCOCc1ncccc1O 34a_100000182051_200020655725 [0,2,0,0,0,0|1,0,0]=3 19799 B13R1.555 NCCOCCc1ccccc1Br 34a_100000210304_100012161201 [0,2,0,0,0,0|0,0,0]=2 19800 B13R1.555 NCCOCCc1ccccc1Cl 34a_100000210304_100011713703 [0,2,0,0,0,0|0,0,0]=2 19801 B13R1.555 NCCOCCc1ccccc1F 34a_100000210304_100000720011 [0,2,0,0,0,0|0,0,0]=2 19802 B13R1.555 NCCOCCc1ccccc1O 34a_100000210304_100000722297 [0,2,0,0,0,0|0,0,0]=2 19803 B13R1.555 NOCCOCc1ccccc1Br 34a_100000700252_100000184730 [0,2,0,0,0,0|1,0,0]=3 19804 B13R1.555 NOCCOCc1ccccc1Cl 34a_100000700252_100000187162 [0,2,0,0,0,0|1,0,0]=3 19805 B13R1.555 NOCCOCc1ccccc1F 34a_100000700252_100000211605 [0,2,0,0,0,0|1,0,0]=3 19806 B13R1.555 NOCCOCc1ccccc1I 34a_100000700252_100011215278 [0,2,0,0,0,0|1,0,0]=3 19807 B13R1.555 NOCCOCc1cccnc1Br 34a_100000700252_100010140945 [0,2,0,0,0,0|2,0,0]=4 19808 B13R1.555 NOCCOCc1cccnc1Cl 34a_100000700252_100000045678 [0,2,0,0,0,0|2,0,0]=4 19809 B13R1.555 NOCCOCc1cccnc1F 34a_100000700252_100000099810 [0,2,0,0,0,0|2,0,0]=4 19810 B13R1.555 NOCCOCc1ncccc1Br 34a_100000700252_100025702911 [0,2,0,0,0,0|2,0,0]=4 19811 B13R1.555 NOCCOCc1ncccc1F 34a_100000700252_100000104219 [0,2,0,0,0,0|2,0,0]=4 19812 B13R1.555 NOCCOCc1ncccc1O 34a_100000700252_200020655725 [0,2,0,0,0,0|2,0,0]=4 19813 B13R1.555 Nc1ccccc1CCOCC=O 34a_100011215289_200009817547 [0,2,0,0,0,0|1,0,1]=4 19814 B13R1.555 Nc1ccccc1CCOCCF 34a_100011215289_100011217306 [0,2,0,0,0,0|1,0,0]=3 19815 B13R1.555 Nc1ccccc1CCOCCO 34a_100011215289_100000211926 [0,2,0,0,0,0|1,0,0]=3 19816 B13R1.555 Nc1ccccc1COCCCF 34a_100000212039_100011934791 [0,2,0,0,0,0|1,0,0]=3 19817 B13R1.555 Nc1ccccc1COCCCO 34a_100000212039_100000230001 [0,2,0,0,0,0|1,0,0]=3 19818 B13R1.555 Nc1ccccc1NCCOCF 34a_100000683943_100015361967 [0,2,0,0,0,0|2,0,0]=4 19819 B13R1.555 Nc1ccccc1OCCCC=O 7a_100000185747_200011292268 [0,2,0,0,0,0|1,0,1]=4 19820 B13R1.555 Nc1ccccc1OCCCCF 34a_100000185747_100000729493 [0,2,0,0,0,0|1,0,0]=3 19821 B13R1.555 Nc1ccccc1OCCCCF 7a_100000185747_100000729493 [0,2,0,0,0,0|1,0,0]=3 19822 B13R1.555 Nc1ccccc1OCCCCO 34a_100000185747_100011216708 [0,2,0,0,0,0|1,0,0]=3 19823 B13R1.555 Nc1ccccc1OCCCCO 7a_100000185747_100000210776 [0,2,0,0,0,0|1,0,0]=3 19824 B13R1.555 Nc1ccccc1OCCOCF 34a_100132302172_100015361967 [0,2,0,0,0,0|2,0,0]=4 19825 B13R1.555 Nc1ccccc1SCCCC=O 62a_100000210017_200011292268 [0,2,0,0,0,0|1,0,1]=4 19826 B13R1.555 Nc1ccccc1SCCCC=O 62a_200011292268_100000210017 [0,2,0,0,0,0|1,0,1]=4 19827 B13R1.555 Nc1ccccc1SCCCCF 62a_100000210017_100000729493 [0,2,0,0,0,0|1,0,0]=3 19828 B13R1.555 Nc1ccccc1SCCCCF 62a_100000729493_100000210017 [0,2,0,0,0,0|1,0,0]=3 19829 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210017_100000210776 [0,2,0,0,0,0|1,0,0]=3 19830 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210776_100000210017 [0,2,0,0,0,0|1,0,0]=3 19831 B13R1.555 Nc1cccnc1COCCCF 34a_114873767017_100011934791 [0,2,0,0,0,0|2,0,0]=4 19832 B13R1.555 Nc1cccnc1COCCCO 34a_114873767017_100000230001 [0,2,0,0,0,0|2,0,0]=4 19833 B13R1.555 Nc1cccnc1OCCCCF 34a_100000746358_100000729493 [0,2,0,0,0,0|2,0,0]=4 19834 B13R1.555 Nc1cccnc1OCCCCO 34a_100000746358_100011216708 [0,2,0,0,0,0|2,0,0]=4 19835 B13R1.555 Nc1cccnc1SCCCCF 62a_100000688686_100000729493 [0,2,0,0,0,0|2,0,0]=4 19836 B13R1.555 Nc1cccnc1SCCCCF 62a_100000729493_100000688686 [0,2,0,0,0,0|2,0,0]=4 19837 B13R1.555 Nc1cccnc1SCCCCO 62a_100000210776_100000688686 [0,2,0,0,0,0|2,0,0]=4 19838 B13R1.555 Nc1cccnc1SCCCCO 62a_100000688686_100000210776 [0,2,0,0,0,0|2,0,0]=4 19839 B13R1.555 Nc1ccncc1OCCCCF 34a_100000753702_100000729493 [0,2,0,0,0,0|2,0,0]=4 19840 B13R1.555 Nc1ccncc1OCCCCO 34a_100000753702_100011216708 [0,2,0,0,0,0|2,0,0]=4 19841 B13R1.555 Nc1ccncc1SCCCCF 62a_100000047001_100000729493 [0,2,0,0,0,0|2,0,0]=4 19842 B13R1.555 Nc1ccncc1SCCCCF 62a_100000729493_100000047001 [0,2,0,0,0,0|2,0,0]=4 19843 B13R1.555 Nc1ccncc1SCCCCO 62a_100000047001_100000210776 [0,2,0,0,0,0|2,0,0]=4 19844 B13R1.555 Nc1ccncc1SCCCCO 62a_100000210776_100000047001 [0,2,0,0,0,0|2,0,0]=4 19845 B13R1.555 Nc1cnccc1SCCCCF 62a_100000729493_100000756074 [0,2,0,0,0,0|2,0,0]=4 19846 B13R1.555 Nc1cnccc1SCCCCF 62a_100000756074_100000729493 [0,2,0,0,0,0|2,0,0]=4 19847 B13R1.555 Nc1cnccc1SCCCCO 62a_100000210776_100000756074 [0,2,0,0,0,0|2,0,0]=4 19848 B13R1.555 Nc1cnccc1SCCCCO 62a_100000756074_100000210776 [0,2,0,0,0,0|2,0,0]=4 19849 B13R1.555 Nc1ncccc1OCCCCF 34a_100000211975_100000729493 [0,2,0,0,0,0|2,0,0]=4 19850 B13R1.555 Nc1ncccc1OCCCCF 7a_100000211975_100000729493 [0,2,0,0,0,0|2,0,0]=4 19851 B13R1.555 Nc1ncccc1OCCCCO 34a_100000211975_100011216708 [0,2,0,0,0,0|2,0,0]=4 19852 B13R1.555 Nc1ncccc1OCCCCO 7a_100000211975_100000210776 [0,2,0,0,0,0|2,0,0]=4 19853 B13R1.555 Nc1ncccc1SCCCCF 62a_100000045569_100000729493 [0,2,0,0,0,0|2,0,0]=4 19854 B13R1.555 Nc1ncccc1SCCCCF 62a_100000729493_100000045569 [0,2,0,0,0,0|2,0,0]=4 19855 B13R1.555 Nc1ncccc1SCCCCO 62a_100000045569_100000210776 [0,2,0,0,0,0|2,0,0]=4 19856 B13R1.555 Nc1ncccc1SCCCCO 62a_100000210776_100000045569 [0,2,0,0,0,0|2,0,0]=4 19857 B13R1.555 O=CCCCOc1ccccc1Br 7a_100000181306_200011292268 [0,2,0,0,0,0|1,0,1]=4 19858 B13R1.555 O=CCCCOc1ccccc1Cl 7a_100000210172_200011292268 [0,2,0,0,0,0|1,0,1]=4 19859 B13R1.555 O=CCCCOc1ccccc1F 7a_100000210171_200011292268 [0,2,0,0,0,0|1,0,1]=4 19860 B13R1.555 O=CCCCOc1ccccc1I 7a_100000739446_200011292268 [0,2,0,0,0,0|1,0,1]=4 19861 B13R1.555 O=CCCCSc1ccccc1Br 62a_100000695589_200011292268 [0,2,0,0,0,0|1,0,1]=4 19862 B13R1.555 O=CCCCSc1ccccc1Br 62a_200011292268_100000695589 [0,2,0,0,0,0|1,0,1]=4 19863 B13R1.555 O=CCCCSc1ccccc1Cl 62a_100000764095_200011292268 [0,2,0,0,0,0|1,0,1]=4 19864 B13R1.555 O=CCCCSc1ccccc1Cl 62a_200011292268_100000764095 [0,2,0,0,0,0|1,0,1]=4 19865 B13R1.555 O=CCCCSc1ccccc1F 62a_100011215700_200011292268 [0,2,0,0,0,0|1,0,1]=4 19866 B13R1.555 O=CCCCSc1ccccc1F 62a_200011292268_100011215700 [0,2,0,0,0,0|1,0,1]=4 19867 B13R1.555 O=CCCCSc1ccccc1O 62a_100000739446_200011292268 [0,2,0,0,0,0|1,0,1]=4 19868 B13R1.555 O=CCCCSc1ccccc1O 62a_200011292268_100000739446 [0,2,0,0,0,0|1,0,1]=4 19869 B13R1.555 O=CCNCCc1ccccc1Br 2230a_100000747383_200015260668 [0,2,0,0,0,0|1,0,1]=4 19870 B13R1.555 O=CCNCCc1ccccc1Br 34a_100000747383_200009817547 [0,2,0,0,0,0|1,0,1]=4 19871 B13R1.555 O=CCNCCc1ccccc1Cl 2230a_100011207228_200015260668 [0,2,0,0,0,0|1,0,1]=4 19872 B13R1.555 O=CCNCCc1ccccc1Cl 34a_100011207228_200009817547 [0,2,0,0,0,0|1,0,1]=4 19873 B13R1.555 O=CCNCCc1ccccc1F 2230a_100000185272_200015260668 [0,2,0,0,0,0|1,0,1]=4 19874 B13R1.555 O=CCNCCc1ccccc1F 34a_100000185272_200009817547 [0,2,0,0,0,0|1,0,1]=4 19875 B13R1.555 O=CCNCCc1ccccc1O 34a_100011207237_200009817547 [0,2,0,0,0,0|1,0,1]=4 19876 B13R1.555 O=CCOCCc1ccccc1Br 34a_100000731337_200009817547 [0,2,0,0,0,0|1,0,1]=4 19877 B13R1.555 O=CCOCCc1ccccc1Br 7a_100000731337_200015260668 [0,2,0,0,0,0|1,0,1]=4 19878 B13R1.555 O=CCOCCc1ccccc1Cl 34a_100011215284_200009817547 [0,2,0,0,0,0|1,0,1]=4 19879 B13R1.555 O=CCOCCc1ccccc1Cl 7a_100011215284_200015260668 [0,2,0,0,0,0|1,0,1]=4 19880 B13R1.555 O=CCOCCc1ccccc1F 34a_100000753711_200009817547 [0,2,0,0,0,0|1,0,1]=4 19881 B13R1.555 O=CCOCCc1ccccc1F 7a_100000753711_200015260668 [0,2,0,0,0,0|1,0,1]=4 19882 B13R1.555 O=CCOCCc1ccccc1I 34a_100010255290_200009817547 [0,2,0,0,0,0|1,0,1]=4 19883 B13R1.555 O=CCOCCc1ccccc1I 7a_100010255290_200015260668 [0,2,0,0,0,0|1,0,1]=4 19884 B13R1.555 O=CCSCCc1ccccc1Br 62a_100012161201_200015260668 [0,2,0,0,0,0|1,0,1]=4 19885 B13R1.555 O=CCSCCc1ccccc1Br 62a_200015260668_100012161201 [0,2,0,0,0,0|1,0,1]=4 19886 B13R1.555 O=CCSCCc1ccccc1Cl 62a_100011713703_200015260668 [0,2,0,0,0,0|1,0,1]=4 19887 B13R1.555 O=CCSCCc1ccccc1Cl 62a_200015260668_100011713703 [0,2,0,0,0,0|1,0,1]=4 19888 B13R1.555 O=CCSCCc1ccccc1F 62a_100011713696_200015260668 [0,2,0,0,0,0|1,0,1]=4 19889 B13R1.555 O=CCSCCc1ccccc1F 62a_200015260668_100011713696 [0,2,0,0,0,0|1,0,1]=4 19890 B13R1.555 O=CCSCCc1ccccc1O 62a_100000722297_200015260668 [0,2,0,0,0,0|1,0,1]=4 19891 B13R1.555 O=CCSCCc1ccccc1O 62a_200015260668_100000722297 [0,2,0,0,0,0|1,0,1]=4 19892 B13R1.555 O=c1cc[nH]cc1SCCCCF 62a_100000729493_100009998708 [0,2,0,0,0,0|2,0,0]=4 19893 B13R1.555 O=c1cc[nH]cc1SCCCCF 62a_100009998708_100000729493 [0,2,0,0,0,0|2,0,0]=4 19894 B13R1.555 O=c1cc[nH]cc1SCCCCO 62a_100000210776_100009998708 [0,2,0,0,0,0|2,0,0]=4 19895 B13R1.555 O=c1cc[nH]cc1SCCCCO 62a_100009998708_100000210776 [0,2,0,0,0,0|2,0,0]=4 19896 B13R1.555 O=c1ccccn1CCNCCF 2230a_100000687133_100011217306 [0,2,0,0,0,0|2,0,0]=4 19897 B13R1.555 O=c1ccccn1CCNCCO 2230a_100000687133_100000211926 [0,2,0,0,0,0|2,0,0]=4 19898 B13R1.555 O=c1ccocc1OCCCCF 34a_100000060831_100000729493 [0,2,0,0,0,0|2,0,0]=4 19899 B13R1.555 O=c1ccocc1OCCCCO 34a_100000060831_100011216708 [0,2,0,0,0,0|2,0,0]=4 19900 B13R1.555 O=c1occcc1OCCCCF 34a_100000077404_100000729493 [0,2,0,0,0,0|2,0,0]=4 19901 B13R1.555 O=c1occcc1OCCCCF 7a_100000077404_100000729493 [0,2,0,0,0,0|2,0,0]=4 19902 B13R1.555 O=c1occcc1OCCCCO 34a_100000077404_100011216708 [0,2,0,0,0,0|2,0,0]=4 19903 B13R1.555 O=c1occcc1OCCCCO 7a_100000077404_100000210776 [0,2,0,0,0,0|2,0,0]=4 19904 B13R1.555 OCCCCNc1ccccc1Br 34a_100000210017_100011216708 [0,2,0,0,0,0|1,0,0]=3 19905 B13R1.555 OCCCCNc1ccccc1Cl 34a_100000185783_100011216708 [0,2,0,0,0,0|1,0,0]=3 19906 B13R1.555 OCCCCNc1ccccc1F 34a_100000210422_100011216708 [0,2,0,0,0,0|1,0,0]=3 19907 B13R1.555 OCCCCNc1ccccc1I 34a_100000210053_100011216708 [0,2,0,0,0,0|1,0,0]=3 19908 B13R1.555 OCCCCNc1ccccc1O 34a_100000185747_100011216708 [0,2,0,0,0,0|1,0,0]=3 19909 B13R1.555 OCCCCNc1ccncc1Br 27a_100000750430_100000726257 [0,2,0,0,0,0|2,0,0]=4 19910 B13R1.555 OCCCCNc1ccncc1F 27a_100000750430_100000035921 [0,2,0,0,0,0|2,0,0]=4 19911 B13R1.555 OCCCCNc1ncccc1Br 27a_100000750430_100000696092 [0,2,0,0,0,0|2,0,0]=4 19912 B13R1.555 OCCCCOc1ccccc1Br 34a_100000181306_100011216708 [0,2,0,0,0,0|1,0,0]=3 19913 B13R1.555 OCCCCOc1ccccc1Br 7a_100000181306_100000210776 [0,2,0,0,0,0|1,0,0]=3 19914 B13R1.555 OCCCCOc1ccccc1Cl 34a_100000210172_100011216708 [0,2,0,0,0,0|1,0,0]=3 19915 B13R1.555 OCCCCOc1ccccc1Cl 7a_100000210172_100000210776 [0,2,0,0,0,0|1,0,0]=3 19916 B13R1.555 OCCCCOc1ccccc1F 34a_100000210171_100011216708 [0,2,0,0,0,0|1,0,0]=3 19917 B13R1.555 OCCCCOc1ccccc1F 7a_100000210171_100000210776 [0,2,0,0,0,0|1,0,0]=3 19918 B13R1.555 OCCCCOc1ccccc1I 34a_100000739446_100011216708 [0,2,0,0,0,0|1,0,0]=3 19919 B13R1.555 OCCCCOc1ccccc1I 7a_100000739446_100000210776 [0,2,0,0,0,0|1,0,0]=3 19920 B13R1.555 OCCCCOc1cccnc1Br 34a_100000744436_100011216708 [0,2,0,0,0,0|2,0,0]=4 19921 B13R1.555 OCCCCOc1cccnc1Br 7a_100000744436_100000210776 [0,2,0,0,0,0|2,0,0]=4 19922 B13R1.555 OCCCCOc1cccnc1Cl 34a_100000757616_100011216708 [0,2,0,0,0,0|2,0,0]=4 19923 B13R1.555 OCCCCOc1cccnc1Cl 7a_100000757616_100000210776 [0,2,0,0,0,0|2,0,0]=4 19924 B13R1.555 OCCCCOc1cccnc1F 34a_100000061740_100011216708 [0,2,0,0,0,0|2,0,0]=4 19925 B13R1.555 OCCCCOc1cccnc1F 7a_100000061740_100000210776 [0,2,0,0,0,0|2,0,0]=4 19926 B13R1.555 OCCCCOc1cccnc1I 34a_100000034122_100011216708 [0,2,0,0,0,0|2,0,0]=4 19927 B13R1.555 OCCCCOc1cccnc1I 7a_100000034122_100000210776 [0,2,0,0,0,0|2,0,0]=4 19928 B13R1.555 OCCCCOc1ccncc1Br 34a_100011996408_100011216708 [0,2,0,0,0,0|2,0,0]=4 19929 B13R1.555 OCCCCOc1ccncc1Cl 34a_100011997054_100011216708 [0,2,0,0,0,0|2,0,0]=4 19930 B13R1.555 OCCCCOc1ccncc1F 34a_200000081243_100011216708 [0,2,0,0,0,0|2,0,0]=4 19931 B13R1.555 OCCCCOc1cnccc1Cl 34a_100011996695_100011216708 [0,2,0,0,0,0|2,0,0]=4 19932 B13R1.555 OCCCCOc1cnccc1I 34a_100000050107_100011216708 [0,2,0,0,0,0|2,0,0]=4 19933 B13R1.555 OCCCCOc1ncccc1Cl 34a_100011290957_100011216708 [0,2,0,0,0,0|2,0,0]=4 19934 B13R1.555 OCCCCOc1ncccc1F 34a_100011219419_100011216708 [0,2,0,0,0,0|2,0,0]=4 19935 B13R1.555 OCCCCSc1c[nH]ccc1=S 62a_100000210776_200012280681 [0,2,0,0,0,0|2,0,0]=4 19936 B13R1.555 OCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210776 [0,2,0,0,0,0|2,0,0]=4 19937 B13R1.555 OCCCCSc1ccccc1Br 62a_100000210776_100000695589 [0,2,0,0,0,0|1,0,0]=3 19938 B13R1.555 OCCCCSc1ccccc1Br 62a_100000695589_100000210776 [0,2,0,0,0,0|1,0,0]=3 19939 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000210776_100000764095 [0,2,0,0,0,0|1,0,0]=3 19940 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000764095_100000210776 [0,2,0,0,0,0|1,0,0]=3 19941 B13R1.555 OCCCCSc1ccccc1F 62a_100000210776_100011215700 [0,2,0,0,0,0|1,0,0]=3 19942 B13R1.555 OCCCCSc1ccccc1F 62a_100011215700_100000210776 [0,2,0,0,0,0|1,0,0]=3 19943 B13R1.555 OCCCCSc1ccccc1O 62a_100000210776_100000739446 [0,2,0,0,0,0|1,0,0]=3 19944 B13R1.555 OCCCCSc1ccccc1O 62a_100000739446_100000210776 [0,2,0,0,0,0|1,0,0]=3 19945 B13R1.555 OCCCCSc1cccnc1Br 62a_100000210776_100010202626 [0,2,0,0,0,0|2,0,0]=4 19946 B13R1.555 OCCCCSc1cccnc1Br 62a_100010202626_100000210776 [0,2,0,0,0,0|2,0,0]=4 19947 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000036424_100000210776 [0,2,0,0,0,0|2,0,0]=4 19948 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000210776_100000036424 [0,2,0,0,0,0|2,0,0]=4 19949 B13R1.555 OCCCCSc1cccnc1F 62a_100000210776_100009816115 [0,2,0,0,0,0|2,0,0]=4 19950 B13R1.555 OCCCCSc1cccnc1F 62a_100009816115_100000210776 [0,2,0,0,0,0|2,0,0]=4 19951 B13R1.555 OCCCCSc1cccnc1O 62a_100000210776_100000760158 [0,2,0,0,0,0|2,0,0]=4 19952 B13R1.555 OCCCCSc1cccnc1O 62a_100000760158_100000210776 [0,2,0,0,0,0|2,0,0]=4 19953 B13R1.555 OCCCCSc1ccncc1Br 62a_100000210776_100000726257 [0,2,0,0,0,0|2,0,0]=4 19954 B13R1.555 OCCCCSc1ccncc1Br 62a_100000726257_100000210776 [0,2,0,0,0,0|2,0,0]=4 19955 B13R1.555 OCCCCSc1ccncc1Cl 62a_100000210776_100000708259 [0,2,0,0,0,0|2,0,0]=4 19956 B13R1.555 OCCCCSc1ccncc1Cl 62a_100000708259_100000210776 [0,2,0,0,0,0|2,0,0]=4 19957 B13R1.555 OCCCCSc1ccncc1F 62a_100000047030_100000210776 [0,2,0,0,0,0|2,0,0]=4 19958 B13R1.555 OCCCCSc1ccncc1F 62a_100000210776_100000047030 [0,2,0,0,0,0|2,0,0]=4 19959 B13R1.555 OCCCCSc1ccncc1O 62a_100000210776_100009817591 [0,2,0,0,0,0|2,0,0]=4 19960 B13R1.555 OCCCCSc1ccncc1O 62a_100009817591_100000210776 [0,2,0,0,0,0|2,0,0]=4 19961 B13R1.555 OCCCCSc1cnccc1Br 62a_100000210776_100010138639 [0,2,0,0,0,0|2,0,0]=4 19962 B13R1.555 OCCCCSc1cnccc1Br 62a_100010138639_100000210776 [0,2,0,0,0,0|2,0,0]=4 19963 B13R1.555 OCCCCSc1cnccc1Cl 62a_100000210776_100009995489 [0,2,0,0,0,0|2,0,0]=4 19964 B13R1.555 OCCCCSc1cnccc1Cl 62a_100009995489_100000210776 [0,2,0,0,0,0|2,0,0]=4 19965 B13R1.555 OCCCCSc1cnccc1F 62a_100000210776_100009820683 [0,2,0,0,0,0|2,0,0]=4 19966 B13R1.555 OCCCCSc1cnccc1F 62a_100009820683_100000210776 [0,2,0,0,0,0|2,0,0]=4 19967 B13R1.555 OCCCCSc1ncccc1Br 62a_100000210776_100000696092 [0,2,0,0,0,0|2,0,0]=4 19968 B13R1.555 OCCCCSc1ncccc1Br 62a_100000696092_100000210776 [0,2,0,0,0,0|2,0,0]=4 19969 B13R1.555 OCCCCSc1ncccc1Cl 62a_100000210776_100011356963 [0,2,0,0,0,0|2,0,0]=4 19970 B13R1.555 OCCCCSc1ncccc1Cl 62a_100011356963_100000210776 [0,2,0,0,0,0|2,0,0]=4 19971 B13R1.555 OCCCCSc1ncccc1F 62a_100000210776_100000685392 [0,2,0,0,0,0|2,0,0]=4 19972 B13R1.555 OCCCCSc1ncccc1F 62a_100000685392_100000210776 [0,2,0,0,0,0|2,0,0]=4 19973 B13R1.555 OCCCCSc1ncccc1O 62a_100000034122_100000210776 [0,2,0,0,0,0|2,0,0]=4 19974 B13R1.555 OCCCCSc1ncccc1O 62a_100000210776_100000034122 [0,2,0,0,0,0|2,0,0]=4 19975 B13R1.555 OCCCNCc1ccccc1Br 207a_100000182051_100000211189 [0,2,0,0,0,0|1,0,0]=3 19976 B13R1.555 OCCCNCc1ccccc1Br 2230a_100000689332_100000230001 [0,2,0,0,0,0|1,0,0]=3 19977 B13R1.555 OCCCNCc1ccccc1Br 270004a_100000182051_100000211189 [0,2,0,0,0,0|1,0,0]=3 19978 B13R1.555 OCCCNCc1ccccc1Br 34a_100000689332_100000230001 [0,2,0,0,0,0|1,0,0]=3 19979 B13R1.555 OCCCNCc1ccccc1Cl 207a_100000182051_100000210073 [0,2,0,0,0,0|1,0,0]=3 19980 B13R1.555 OCCCNCc1ccccc1Cl 2230a_100000174879_100000230001 [0,2,0,0,0,0|1,0,0]=3 19981 B13R1.555 OCCCNCc1ccccc1Cl 270004a_100000182051_100000210073 [0,2,0,0,0,0|1,0,0]=3 19982 B13R1.555 OCCCNCc1ccccc1Cl 34a_100000174879_100000230001 [0,2,0,0,0,0|1,0,0]=3 19983 B13R1.555 OCCCNCc1ccccc1F 207a_100000182051_100000210811 [0,2,0,0,0,0|1,0,0]=3 19984 B13R1.555 OCCCNCc1ccccc1F 270004a_100000182051_100000210811 [0,2,0,0,0,0|1,0,0]=3 19985 B13R1.555 OCCCNCc1ccccc1F 34a_100000174869_100000230001 [0,2,0,0,0,0|1,0,0]=3 19986 B13R1.555 OCCCNCc1ccccc1I 207a_100000182051_100000010305 [0,2,0,0,0,0|1,0,0]=3 19987 B13R1.555 OCCCNCc1ccccc1I 270004a_100000182051_100000010305 [0,2,0,0,0,0|1,0,0]=3 19988 B13R1.555 OCCCNCc1ccccc1O 34a_100000185550_100000230001 [0,2,0,0,0,0|1,0,0]=3 19989 B13R1.555 OCCCNCc1cccnc1Br 2230a_100009818023_100000230001 [0,2,0,0,0,0|2,0,0]=4 19990 B13R1.555 OCCCNCc1cccnc1Br 34a_100009818023_100000230001 [0,2,0,0,0,0|2,0,0]=4 19991 B13R1.555 OCCCNCc1cccnc1Cl 2230a_100015189234_100000230001 [0,2,0,0,0,0|2,0,0]=4 19992 B13R1.555 OCCCNCc1cccnc1Cl 34a_100015189234_100000230001 [0,2,0,0,0,0|2,0,0]=4 19993 B13R1.555 OCCCNCc1cccnc1F 34a_100000724633_100000230001 [0,2,0,0,0,0|2,0,0]=4 19994 B13R1.555 OCCCNCc1cccnc1O 207a_100000182051_100011998315 [0,2,0,0,0,0|2,0,0]=4 19995 B13R1.555 OCCCNCc1cccnc1O 270004a_100000182051_100011998315 [0,2,0,0,0,0|2,0,0]=4 19996 B13R1.555 OCCCNCc1ccncc1Br 270004a_100000182051_100000755692 [0,2,0,0,0,0|2,0,0]=4 19997 B13R1.555 OCCCNCc1ccncc1Cl 207a_100000182051_100011934409 [0,2,0,0,0,0|2,0,0]=4 19998 B13R1.555 OCCCNCc1ccncc1Cl 270004a_100000182051_100011934409 [0,2,0,0,0,0|2,0,0]=4 19999 B13R1.555 OCCCNCc1ccncc1F 34a_100011935246_100000230001 [0,2,0,0,0,0|2,0,0]=4 20000 B13R1.555 OCCCNCc1cnccc1Br 270004a_100000182051_100009816821 [0,2,0,0,0,0|2,0,0]=4 20001 B13R1.555 OCCCNCc1cnccc1Cl 270004a_100000182051_100000050567 [0,2,0,0,0,0|2,0,0]=4 20002 B13R1.555 OCCCNCc1ncccc1Br 207a_100000182051_100011934733 [0,2,0,0,0,0|2,0,0]=4 20003 B13R1.555 OCCCNCc1ncccc1Br 270004a_100000182051_100011934733 [0,2,0,0,0,0|2,0,0]=4 20004 B13R1.555 OCCCNCc1ncccc1Cl 207a_100000182051_100012001307 [0,2,0,0,0,0|2,0,0]=4 20005 B13R1.555 OCCCNCc1ncccc1Cl 2230a_100015189233_100000230001 [0,2,0,0,0,0|2,0,0]=4 20006 B13R1.555 OCCCNCc1ncccc1Cl 270004a_100000182051_100012001307 [0,2,0,0,0,0|2,0,0]=4 20007 B13R1.555 OCCCNCc1ncccc1F 207a_100000182051_100011934734 [0,2,0,0,0,0|2,0,0]=4 20008 B13R1.555 OCCCNCc1ncccc1F 270004a_100000182051_100011934734 [0,2,0,0,0,0|2,0,0]=4 20009 B13R1.555 OCCCNCc1ncccc1F 34a_100000690088_100000230001 [0,2,0,0,0,0|2,0,0]=4 20010 B13R1.555 OCCCOCc1ccccc1Br 34a_100000756307_100000230001 [0,2,0,0,0,0|1,0,0]=3 20011 B13R1.555 OCCCOCc1ccccc1Br 7a_100000756307_100011215043 [0,2,0,0,0,0|1,0,0]=3 20012 B13R1.555 OCCCOCc1ccccc1Cl 34a_100000210847_100000230001 [0,2,0,0,0,0|1,0,0]=3 20013 B13R1.555 OCCCOCc1ccccc1Cl 7a_100000210847_100011215043 [0,2,0,0,0,0|1,0,0]=3 20014 B13R1.555 OCCCOCc1ccccc1F 34a_100000211962_100000230001 [0,2,0,0,0,0|1,0,0]=3 20015 B13R1.555 OCCCOCc1ccccc1F 7a_100000211962_100011215043 [0,2,0,0,0,0|1,0,0]=3 20016 B13R1.555 OCCCOCc1ccccc1I 34a_100000187465_100000230001 [0,2,0,0,0,0|1,0,0]=3 20017 B13R1.555 OCCCOCc1ccccc1I 7a_100000187465_100011215043 [0,2,0,0,0,0|1,0,0]=3 20018 B13R1.555 OCCCOCc1cccnc1Br 34a_100000719692_100000230001 [0,2,0,0,0,0|2,0,0]=4 20019 B13R1.555 OCCCOCc1cccnc1Br 7a_100000719692_100011215043 [0,2,0,0,0,0|2,0,0]=4 20020 B13R1.555 OCCCOCc1cccnc1Cl 34a_100000748726_100000230001 [0,2,0,0,0,0|2,0,0]=4 20021 B13R1.555 OCCCOCc1cccnc1Cl 7a_100000748726_100011215043 [0,2,0,0,0,0|2,0,0]=4 20022 B13R1.555 OCCCOCc1cccnc1F 34a_100000079888_100000230001 [0,2,0,0,0,0|2,0,0]=4 20023 B13R1.555 OCCCOCc1cccnc1F 7a_100000079888_100011215043 [0,2,0,0,0,0|2,0,0]=4 20024 B13R1.555 OCCCOCc1ccncc1F 34a_100012172863_100000230001 [0,2,0,0,0,0|2,0,0]=4 20025 B13R1.555 OCCCOCc1cnccc1Cl 34a_100000117392_100000230001 [0,2,0,0,0,0|2,0,0]=4 20026 B13R1.555 OCCCOCc1ncccc1Br 34a_100011996772_100000230001 [0,2,0,0,0,0|2,0,0]=4 20027 B13R1.555 OCCCOCc1ncccc1Cl 34a_100012002383_100000230001 [0,2,0,0,0,0|2,0,0]=4 20028 B13R1.555 OCCCOCc1ncccc1F 34a_100011934865_100000230001 [0,2,0,0,0,0|2,0,0]=4 20029 B13R1.555 OCCCSCc1ccccc1Br 62a_100000184730_100011215043 [0,2,0,0,0,0|1,0,0]=3 20030 B13R1.555 OCCCSCc1ccccc1Br 62a_100011215043_100000184730 [0,2,0,0,0,0|1,0,0]=3 20031 B13R1.555 OCCCSCc1ccccc1Cl 62a_100000187162_100011215043 [0,2,0,0,0,0|1,0,0]=3 20032 B13R1.555 OCCCSCc1ccccc1Cl 62a_100011215043_100000187162 [0,2,0,0,0,0|1,0,0]=3 20033 B13R1.555 OCCCSCc1ccccc1F 62a_100000211605_100011215043 [0,2,0,0,0,0|1,0,0]=3 20034 B13R1.555 OCCCSCc1ccccc1F 62a_100011215043_100000211605 [0,2,0,0,0,0|1,0,0]=3 20035 B13R1.555 OCCCSCc1ccccc1I 62a_100011215043_100011216222 [0,2,0,0,0,0|1,0,0]=3 20036 B13R1.555 OCCCSCc1ccccc1I 62a_100011216222_100011215043 [0,2,0,0,0,0|1,0,0]=3 20037 B13R1.555 OCCCSCc1cccnc1Br 62a_100010140945_100011215043 [0,2,0,0,0,0|2,0,0]=4 20038 B13R1.555 OCCCSCc1cccnc1Br 62a_100011215043_100010140945 [0,2,0,0,0,0|2,0,0]=4 20039 B13R1.555 OCCCSCc1cccnc1Cl 62a_100000045678_100011215043 [0,2,0,0,0,0|2,0,0]=4 20040 B13R1.555 OCCCSCc1cccnc1Cl 62a_100011215043_100000045678 [0,2,0,0,0,0|2,0,0]=4 20041 B13R1.555 OCCCSCc1cccnc1F 62a_100000099810_100011215043 [0,2,0,0,0,0|2,0,0]=4 20042 B13R1.555 OCCCSCc1cccnc1F 62a_100011215043_100000099810 [0,2,0,0,0,0|2,0,0]=4 20043 B13R1.555 OCCCSCc1ccncc1Cl 62a_100000763264_100011215043 [0,2,0,0,0,0|2,0,0]=4 20044 B13R1.555 OCCCSCc1ccncc1Cl 62a_100011215043_100000763264 [0,2,0,0,0,0|2,0,0]=4 20045 B13R1.555 OCCCSCc1ncccc1Br 62a_100011215043_100025702911 [0,2,0,0,0,0|2,0,0]=4 20046 B13R1.555 OCCCSCc1ncccc1Br 62a_100025702911_100011215043 [0,2,0,0,0,0|2,0,0]=4 20047 B13R1.555 OCCCSCc1ncccc1Cl 62a_100000099807_100011215043 [0,2,0,0,0,0|2,0,0]=4 20048 B13R1.555 OCCCSCc1ncccc1Cl 62a_100011215043_100000099807 [0,2,0,0,0,0|2,0,0]=4 20049 B13R1.555 OCCCSCc1ncccc1F 62a_100000104219_100011215043 [0,2,0,0,0,0|2,0,0]=4 20050 B13R1.555 OCCCSCc1ncccc1F 62a_100011215043_100000104219 [0,2,0,0,0,0|2,0,0]=4 20051 B13R1.555 OCCCSCc1ncccc1O 62a_100011215043_200020655725 [0,2,0,0,0,0|2,0,0]=4 20052 B13R1.555 OCCCSCc1ncccc1O 62a_200020655725_100011215043 [0,2,0,0,0,0|2,0,0]=4 20053 B13R1.555 OCCNCCc1ccccc1Br 2230a_100000747383_100000211926 [0,2,0,0,0,0|1,0,0]=3 20054 B13R1.555 OCCNCCc1ccccc1Br 2230a_100016997473_100012161201 [0,2,0,0,0,0|1,0,0]=3 20055 B13R1.555 OCCNCCc1ccccc1Br 34a_100000747383_100000211926 [0,2,0,0,0,0|1,0,0]=3 20056 B13R1.555 OCCNCCc1ccccc1Br 34a_100016990907_100012161201 [0,2,0,0,0,0|1,0,0]=3 20057 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100011207228_100000211926 [0,2,0,0,0,0|1,0,0]=3 20058 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100016997473_100011713703 [0,2,0,0,0,0|1,0,0]=3 20059 B13R1.555 OCCNCCc1ccccc1Cl 270004a_100000210304_200011713468 [0,2,0,0,0,0|1,0,0]=3 20060 B13R1.555 OCCNCCc1ccccc1Cl 34a_100011207228_100000211926 [0,2,0,0,0,0|1,0,0]=3 20061 B13R1.555 OCCNCCc1ccccc1Cl 34a_100016990907_100011713703 [0,2,0,0,0,0|1,0,0]=3 20062 B13R1.555 OCCNCCc1ccccc1F 2230a_100000185272_100000211926 [0,2,0,0,0,0|1,0,0]=3 20063 B13R1.555 OCCNCCc1ccccc1F 2230a_100016997473_100011713696 [0,2,0,0,0,0|1,0,0]=3 20064 B13R1.555 OCCNCCc1ccccc1F 34a_100000185272_100000211926 [0,2,0,0,0,0|1,0,0]=3 20065 B13R1.555 OCCNCCc1ccccc1F 34a_100016990907_100000720011 [0,2,0,0,0,0|1,0,0]=3 20066 B13R1.555 OCCNCCc1ccccc1O 34a_100011207237_100000211926 [0,2,0,0,0,0|1,0,0]=3 20067 B13R1.555 OCCNCCc1ccccc1O 34a_100016990907_100000722297 [0,2,0,0,0,0|1,0,0]=3 20068 B13R1.555 OCCOCCc1ccccc1Br 34a_100000731337_100000211926 [0,2,0,0,0,0|1,0,0]=3 20069 B13R1.555 OCCOCCc1ccccc1Br 7a_100000731337_100000211926 [0,2,0,0,0,0|1,0,0]=3 20070 B13R1.555 OCCOCCc1ccccc1Cl 34a_100011215284_100000211926 [0,2,0,0,0,0|1,0,0]=3 20071 B13R1.555 OCCOCCc1ccccc1Cl 7a_100011215284_100000211926 [0,2,0,0,0,0|1,0,0]=3 20072 B13R1.555 OCCOCCc1ccccc1F 34a_100000753711_100000211926 [0,2,0,0,0,0|1,0,0]=3 20073 B13R1.555 OCCOCCc1ccccc1F 7a_100000753711_100000211926 [0,2,0,0,0,0|1,0,0]=3 20074 B13R1.555 OCCOCCc1ccccc1I 34a_100010255290_100000211926 [0,2,0,0,0,0|1,0,0]=3 20075 B13R1.555 OCCOCCc1ccccc1I 7a_100010255290_100000211926 [0,2,0,0,0,0|1,0,0]=3 20076 B13R1.555 OCCSCCc1ccccc1Br 62a_100000211926_100012161201 [0,2,0,0,0,0|1,0,0]=3 20077 B13R1.555 OCCSCCc1ccccc1Br 62a_100012161201_100000211926 [0,2,0,0,0,0|1,0,0]=3 20078 B13R1.555 OCCSCCc1ccccc1Cl 62a_100000211926_100011713703 [0,2,0,0,0,0|1,0,0]=3 20079 B13R1.555 OCCSCCc1ccccc1Cl 62a_100011713703_100000211926 [0,2,0,0,0,0|1,0,0]=3 20080 B13R1.555 OCCSCCc1ccccc1F 62a_100000211926_100011713696 [0,2,0,0,0,0|1,0,0]=3 20081 B13R1.555 OCCSCCc1ccccc1F 62a_100011713696_100000211926 [0,2,0,0,0,0|1,0,0]=3 20082 B13R1.555 OCCSCCc1ccccc1O 62a_100000211926_100000722297 [0,2,0,0,0,0|1,0,0]=3 20083 B13R1.555 OCCSCCc1ccccc1O 62a_100000722297_100000211926 [0,2,0,0,0,0|1,0,0]=3 20084 B13R1.555 Oc1ccccc1CCNCCF 34a_100000724931_100000722297 [0,2,0,0,0,0|1,0,0]=3 20085 B13R1.555 Oc1ccccc1CCNCCF 34a_100011207237_100011217306 [0,2,0,0,0,0|1,0,0]=3 20086 B13R1.555 Oc1ccccc1CCOCCBr 34a_100000211926_100000722297 [0,2,0,0,0,0|1,0,0]=3 20087 B13R1.555 Oc1ccccc1CCSCCF 62a_100000722297_100011217306 [0,2,0,0,0,0|1,0,0]=3 20088 B13R1.555 Oc1ccccc1CCSCCF 62a_100011217306_100000722297 [0,2,0,0,0,0|1,0,0]=3 20089 B13R1.555 Oc1ccccc1CNCCCF 34a_100000185550_100011934791 [0,2,0,0,0,0|1,0,0]=3 20090 B13R1.555 Oc1ccccc1NCCCCF 34a_100000185747_100000729493 [0,2,0,0,0,0|1,0,0]=3 20091 B13R1.555 Oc1ccccc1SCCCCF 62a_100000729493_100000739446 [0,2,0,0,0,0|1,0,0]=3 20092 B13R1.555 Oc1ccccc1SCCCCF 62a_100000739446_100000729493 [0,2,0,0,0,0|1,0,0]=3 20093 B13R1.555 Oc1cccnc1CNCCCF 34a_100015189416_200020655725 [0,2,0,0,0,0|2,0,0]=4 20094 B13R1.555 Oc1cccnc1COCCCBr 34a_100011217188_200020655725 [0,2,0,0,0,0|2,0,0]=4 20095 B13R1.555 Oc1cccnc1COCCCCl 34a_100000230001_200020655725 [0,2,0,0,0,0|2,0,0]=4 20096 B13R1.555 Oc1cccnc1COCCCF 34a_100000759539_200020655725 [0,2,0,0,0,0|2,0,0]=4 20097 B13R1.555 Oc1cccnc1CSCCCF 62a_100011934791_200020655725 [0,2,0,0,0,0|2,0,0]=4 20098 B13R1.555 Oc1cccnc1CSCCCF 62a_200020655725_100011934791 [0,2,0,0,0,0|2,0,0]=4 20099 B13R1.555 Oc1cccnc1SCCCCF 62a_100000034122_100000729493 [0,2,0,0,0,0|2,0,0]=4 20100 B13R1.555 Oc1cccnc1SCCCCF 62a_100000729493_100000034122 [0,2,0,0,0,0|2,0,0]=4 20101 B13R1.555 Oc1cnccc1SCCCCF 62a_100000729493_100009817591 [0,2,0,0,0,0|2,0,0]=4 20102 B13R1.555 Oc1cnccc1SCCCCF 62a_100009817591_100000729493 [0,2,0,0,0,0|2,0,0]=4 20103 B13R1.555 Oc1ncccc1CNCCCF 207a_100015189416_100011998315 [0,2,0,0,0,0|2,0,0]=4 20104 B13R1.555 Oc1ncccc1CNCCCF 270004a_100015189416_100011998315 [0,2,0,0,0,0|2,0,0]=4 20105 B13R1.555 Oc1ncccc1SCCCCF 62a_100000729493_100000760158 [0,2,0,0,0,0|2,0,0]=4 20106 B13R1.555 Oc1ncccc1SCCCCF 62a_100000760158_100000729493 [0,2,0,0,0,0|2,0,0]=4 20107 B13R1.555 [13CH3]NCCCOc1ccccc1F 2230a_100000707858_200025704644 [0,2,0,0,0,0|1,0,0]=3 20108 B13R1.555 [13CH3]NCCCOc1ccccc1F 34a_100000707858_200025704644 [0,2,0,0,0,0|1,0,0]=3 20109 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 2230a_100000745786_200025704644 [0,2,0,0,0,0|1,0,0]=3 20110 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 34a_100000745786_200025704644 [0,2,0,0,0,0|1,0,0]=3 20111 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 2230a_100011219180_200025704644 [0,2,0,0,0,0|1,0,0]=3 20112 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 34a_100011219180_200025704644 [0,2,0,0,0,0|1,0,0]=3 20113 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 7a_100011219180_200025704644 [0,2,0,0,0,0|1,0,0]=3 20114 B13R1.555 [13CH3]OCCCCc1ccccc1Br 34a_100012092669_200025704644 [0,2,0,0,0,0|1,0,0]=3 20115 B13R1.555 [13CH3]OCCCCc1ccccc1Br 7a_100012092669_200025704644 [0,2,0,0,0,0|1,0,0]=3 20116 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 34a_100000230521_200025704644 [0,2,0,0,0,0|2,0,0]=4 20117 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 7a_100000230521_200025704644 [0,2,0,0,0,0|2,0,0]=4 20118 B13R1.555 [13CH3]OCCNCc1ccccc1Br 34a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 20119 B13R1.555 [13CH3]OCCNCc1ccccc1Cl 34a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 20120 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200011259276_200025704644 [0,2,0,0,0,0|2,0,0]=4 20121 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200025704644_200011259276 [0,2,0,0,0,0|2,0,0]=4 20122 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_100011203253_200025704644 [0,2,0,0,0,0|2,0,0]=4 20123 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_200025704644_100011203253 [0,2,0,0,0,0|2,0,0]=4 20124 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_100000750589_200025704644 [0,2,0,0,0,0|2,0,0]=4 20125 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_200025704644_100000750589 [0,2,0,0,0,0|2,0,0]=4 20126 B13R1.555 [O-][n+]1ccccc1OCCCCF 7a_100000211761_100000729493 [0,2,0,0,0,0|2,0,0]=4 20127 B13R1.555 [O-][n+]1ccccc1OCCCCO 7a_100000211761_100000210776 [0,2,0,0,0,0|2,0,0]=4 20128 B13R1.555 [O-][n+]1ccccc1SCCCCF 62a_100000729493_200000042595 [0,2,0,0,0,0|2,0,0]=4 20129 B13R1.555 [O-][n+]1ccccc1SCCCCO 62a_100000210776_200000042595 [0,2,0,0,0,0|2,0,0]=4 20130 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [0,2,0,0,0,0|1,0,1]=4 20131 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [0,2,0,0,0,0|1,0,1]=4 20132 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [0,2,0,0,0,0|1,0,1]=4 20133 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [0,2,0,0,0,0|1,0,1]=4 20134 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [0,2,0,0,0,0|1,0,1]=4 20135 B13R1.718 C#CC(C)SCCc1ccccc1 62a_200000035995_100011218657 [0,2,0,0,0,0|1,0,1]=4 20136 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [0,2,0,0,0,0|1,0,1]=4 20137 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [0,2,0,0,0,0|1,0,1]=4 20138 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,2,0,0,0,0|1,0,1]=4 20139 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,2,0,0,0,0|1,0,1]=4 20140 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,2,0,0,0,0|1,0,1]=4 20141 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [0,2,0,0,0,0|1,0,1]=4 20142 B13R1.718 C=CC(C)SCCc1ccccc1 62a_100011215867_100011218657 [0,2,0,0,0,0|1,0,1]=4 20143 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [0,2,0,0,0,0|1,0,1]=4 20144 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [0,2,0,0,0,0|1,0,1]=4 20145 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,2,0,0,0,0|1,0,1]=4 20146 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,2,0,0,0,0|1,0,1]=4 20147 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [0,2,0,0,0,0|1,0,1]=4 20148 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [0,2,0,0,0,0|1,0,1]=4 20149 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [0,2,0,0,0,0|1,0,0]=3 20150 B13R1.718 C=C[C@H](N)COCc1ccccn1 34a_100016989147_100000721315 [0,2,0,0,0,0|2,0,0]=4 20151 B13R1.718 C=C[C@H](N)COCc1cccnc1 34a_100016989147_100000733263 [0,2,0,0,0,0|2,0,0]=4 20152 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000106460_100000184139 [0,2,0,0,0,0|0,0,2]=4 20153 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000737613_100000765856 [0,2,0,0,0,0|0,0,2]=4 20154 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [0,2,0,0,0,0|0,0,2]=4 20155 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [0,2,0,0,0,0|0,0,2]=4 20156 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000703298_100011218657 [0,2,0,0,0,0|0,0,2]=4 20157 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000765856_100000703298 [0,2,0,0,0,0|0,0,2]=4 20158 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,2,0,0,0,0|1,0,0]=3 20159 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,2,0,0,0,0|1,0,0]=3 20160 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [0,2,0,0,0,0|1,0,0]=3 20161 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [0,2,0,0,0,0|1,0,0]=3 20162 B13R1.718 CC(CF)OCCc1ccccn1 7a_100016041109_100015183660 [0,2,0,0,0,0|2,0,0]=4 20163 B13R1.718 CC(CF)OCCc1cccnc1 7a_100016041109_200011713674 [0,2,0,0,0,0|2,0,0]=4 20164 B13R1.718 CC(CF)OCCc1ccncc1 7a_100016041109_100000723409 [0,2,0,0,0,0|2,0,0]=4 20165 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,2,0,0,0,0|0,0,0]=2 20166 B13R1.718 CC(CN)COCc1ccccn1 34a_100000744482_100000721315 [0,2,0,0,0,0|1,0,0]=3 20167 B13R1.718 CC(CN)COCc1cccnc1 34a_100000744482_100000733263 [0,2,0,0,0,0|1,0,0]=3 20168 B13R1.718 CC(CN)COCc1cccnn1 34a_100000744482_100016990269 [0,2,0,0,0,0|2,0,0]=4 20169 B13R1.718 CC(CN)COCc1cnccn1 34a_100000744482_100016995436 [0,2,0,0,0,0|2,0,0]=4 20170 B13R1.718 CC(CN)COCc1cncnc1 34a_100000744482_100015196519 [0,2,0,0,0,0|2,0,0]=4 20171 B13R1.718 CC(CN)COCc1ncccn1 34a_100000744482_100000703007 [0,2,0,0,0,0|2,0,0]=4 20172 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,2,0,0,0,0|0,0,0]=2 20173 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,2,0,0,0,0|1,0,0]=3 20174 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,2,0,0,0,0|1,0,0]=3 20175 B13R1.718 CC(CO)CNCc1ccccn1 207a_100000744482_100000209966 [0,2,0,0,0,0|2,0,0]=4 20176 B13R1.718 CC(CO)CNCc1ccccn1 34a_100000744482_100000721315 [0,2,0,0,0,0|2,0,0]=4 20177 B13R1.718 CC(CO)CNCc1cccnc1 207a_100000744482_100000209961 [0,2,0,0,0,0|2,0,0]=4 20178 B13R1.718 CC(CO)CNCc1cccnc1 34a_100000744482_100000733263 [0,2,0,0,0,0|2,0,0]=4 20179 B13R1.718 CC(CO)CNCc1ccncc1 207a_100000744482_100000186114 [0,2,0,0,0,0|2,0,0]=4 20180 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,2,0,0,0,0|1,0,0]=3 20181 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,2,0,0,0,0|1,0,0]=3 20182 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [0,2,0,0,0,0|2,0,0]=4 20183 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,2,0,0,0,0|1,0,0]=3 20184 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,2,0,0,0,0|1,0,0]=3 20185 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [0,2,0,0,0,0|2,0,0]=4 20186 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [0,2,0,0,0,0|2,0,0]=4 20187 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [0,2,0,0,0,0|2,0,0]=4 20188 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,2,0,0,0,0|1,0,0]=3 20189 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [0,2,0,0,0,0|2,0,0]=4 20190 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [0,2,0,0,0,0|2,0,0]=4 20191 B13R1.718 CC(CO)SCCc1ccncc1 62a_100012180447_100000723409 [0,2,0,0,0,0|2,0,0]=4 20192 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [0,2,0,0,0,0|2,0,0]=4 20193 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,2,0,0,0,0|2,0,0]=4 20194 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,2,0,0,0,0|2,0,0]=4 20195 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,2,0,0,0,0|1,0,0]=3 20196 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,2,0,0,0,0|1,0,0]=3 20197 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,2,0,0,0,0|2,0,0]=4 20198 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,2,0,0,0,0|2,0,0]=4 20199 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,2,0,0,0,0|1,0,1]=4 20200 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,2,0,0,0,0|1,0,1]=4 20201 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,2,0,0,0,0|1,0,1]=4 20202 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,2,0,0,0,0|1,0,1]=4 20203 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,2,0,0,0,0|1,0,1]=4 20204 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,2,0,0,0,0|1,0,1]=4 20205 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,2,0,0,0,0|1,0,1]=4 20206 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,2,0,0,0,0|1,0,1]=4 20207 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,2,0,0,0,0|1,0,1]=4 20208 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,2,0,0,0,0|1,0,1]=4 20209 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,2,0,0,0,0|1,0,1]=4 20210 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 20211 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 20212 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 20213 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 20214 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,2,0,0,0,0|1,0,0]=3 20215 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,2,0,0,0,0|1,0,0]=3 20216 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,2,0,0,0,0|1,0,0]=3 20217 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,2,0,0,0,0|1,0,0]=3 20218 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,2,0,0,0,0|1,0,0]=3 20219 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,2,0,0,0,0|1,0,0]=3 20220 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,2,0,0,0,0|2,0,0]=4 20221 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,2,0,0,0,0|2,0,0]=4 20222 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,2,0,0,0,0|2,0,0]=4 20223 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,2,0,0,0,0|2,0,0]=4 20224 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,2,0,0,0,0|2,0,0]=4 20225 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,2,0,0,0,0|2,0,0]=4 20226 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,2,0,0,0,0|2,0,0]=4 20227 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,2,0,0,0,0|2,0,0]=4 20228 B13R1.718 CCC(C)CNCc1ccncc1 207a_100020588543_100000186114 [0,2,0,0,0,0|2,0,0]=4 20229 B13R1.718 CCC(C)CNCc1ccncc1 2230a_100020588543_100015193705 [0,2,0,0,0,0|2,0,0]=4 20230 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,2,0,0,0,0|1,0,0]=3 20231 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,2,0,0,0,0|1,0,0]=3 20232 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,2,0,0,0,0|1,0,0]=3 20233 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,2,0,0,0,0|1,0,0]=3 20234 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000721315_100000748023 [0,2,0,0,0,0|2,0,0]=4 20235 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000748023_100000721315 [0,2,0,0,0,0|2,0,0]=4 20236 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,2,0,0,0,0|2,0,0]=4 20237 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,2,0,0,0,0|2,0,0]=4 20238 B13R1.718 CCC(C)CSCc1ccncc1 62a_100000748023_100015193705 [0,2,0,0,0,0|2,0,0]=4 20239 B13R1.718 CCC(C)CSCc1ccncc1 62a_100015193705_100000748023 [0,2,0,0,0,0|2,0,0]=4 20240 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,2,0,0,0,0|1,0,0]=3 20241 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,2,0,0,0,0|1,0,0]=3 20242 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,2,0,0,0,0|1,0,0]=3 20243 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [0,2,0,0,0,0|2,0,0]=4 20244 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,2,0,0,0,0|2,0,0]=4 20245 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,2,0,0,0,0|2,0,0]=4 20246 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [0,2,0,0,0,0|2,0,0]=4 20247 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [0,2,0,0,0,0|2,0,0]=4 20248 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,2,0,0,0,0|1,0,0]=3 20249 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,2,0,0,0,0|1,0,0]=3 20250 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,2,0,0,0,0|1,0,0]=3 20251 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [0,2,0,0,0,0|2,0,0]=4 20252 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [0,2,0,0,0,0|2,0,0]=4 20253 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,2,0,0,0,0|2,0,0]=4 20254 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,2,0,0,0,0|2,0,0]=4 20255 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [0,2,0,0,0,0|2,0,0]=4 20256 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [0,2,0,0,0,0|2,0,0]=4 20257 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,2,0,0,0,0|1,0,0]=3 20258 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,2,0,0,0,0|1,0,0]=3 20259 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [0,2,0,0,0,0|2,0,0]=4 20260 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [0,2,0,0,0,0|2,0,0]=4 20261 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,2,0,0,0,0|2,0,0]=4 20262 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,2,0,0,0,0|2,0,0]=4 20263 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [0,2,0,0,0,0|2,0,0]=4 20264 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [0,2,0,0,0,0|2,0,0]=4 20265 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [0,2,0,0,0,0|2,0,0]=4 20266 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [0,2,0,0,0,0|2,0,0]=4 20267 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,2,0,0,0,0|1,0,0]=3 20268 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,2,0,0,0,0|1,0,0]=3 20269 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,2,0,0,0,0|1,0,0]=3 20270 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,2,0,0,0,0|1,0,0]=3 20271 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,2,0,0,0,0|1,0,0]=3 20272 B13R1.718 CCC(O)CNCc1ccccn1 207a_100011218483_100000209966 [0,2,0,0,0,0|2,0,0]=4 20273 B13R1.718 CCC(O)CNCc1ccccn1 2230a_100011218483_100000721315 [0,2,0,0,0,0|2,0,0]=4 20274 B13R1.718 CCC(O)CNCc1ccccn1 270004a_100011218483_100000209966 [0,2,0,0,0,0|2,0,0]=4 20275 B13R1.718 CCC(O)CNCc1cccnc1 207a_100011218483_100000209961 [0,2,0,0,0,0|2,0,0]=4 20276 B13R1.718 CCC(O)CNCc1cccnc1 2230a_100011218483_100000741622 [0,2,0,0,0,0|2,0,0]=4 20277 B13R1.718 CCC(O)CNCc1cccnc1 270004a_100011218483_100000209961 [0,2,0,0,0,0|2,0,0]=4 20278 B13R1.718 CCC(O)CNCc1ccncc1 207a_100011218483_100000186114 [0,2,0,0,0,0|2,0,0]=4 20279 B13R1.718 CCC(O)CNCc1ccncc1 2230a_100011218483_100015193705 [0,2,0,0,0,0|2,0,0]=4 20280 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,2,0,0,0,0|1,0,0]=3 20281 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,2,0,0,0,0|1,0,0]=3 20282 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,2,0,0,0,0|1,0,0]=3 20283 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,2,0,0,0,0|1,0,0]=3 20284 B13R1.718 CCC(O)CSCc1ccccn1 62a_100000721315_100011218378 [0,2,0,0,0,0|2,0,0]=4 20285 B13R1.718 CCC(O)CSCc1ccccn1 62a_100011218378_100000721315 [0,2,0,0,0,0|2,0,0]=4 20286 B13R1.718 CCC(O)CSCc1cccnc1 62a_100000741622_100011218378 [0,2,0,0,0,0|2,0,0]=4 20287 B13R1.718 CCC(O)CSCc1cccnc1 62a_100011218378_100000741622 [0,2,0,0,0,0|2,0,0]=4 20288 B13R1.718 CCC(O)CSCc1ccncc1 62a_100011218378_100015193705 [0,2,0,0,0,0|2,0,0]=4 20289 B13R1.718 CCC(O)CSCc1ccncc1 62a_100015193705_100011218378 [0,2,0,0,0,0|2,0,0]=4 20290 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,2,0,0,0,0|1,0,0]=3 20291 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,2,0,0,0,0|1,0,0]=3 20292 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,2,0,0,0,0|1,0,0]=3 20293 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,2,0,0,0,0|1,0,0]=3 20294 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,2,0,0,0,0|2,0,0]=4 20295 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,2,0,0,0,0|2,0,0]=4 20296 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,2,0,0,0,0|2,0,0]=4 20297 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,2,0,0,0,0|2,0,0]=4 20298 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,2,0,0,0,0|2,0,0]=4 20299 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,2,0,0,0,0|2,0,0]=4 20300 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [0,2,0,0,0,0|2,0,0]=4 20301 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [0,2,0,0,0,0|2,0,0]=4 20302 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,2,0,0,0,0|2,0,0]=4 20303 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [0,2,0,0,0,0|2,0,0]=4 20304 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [0,2,0,0,0,0|2,0,0]=4 20305 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,2,0,0,0,0|2,0,0]=4 20306 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,2,0,0,0,0|2,0,0]=4 20307 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,2,0,0,0,0|1,0,0]=3 20308 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,2,0,0,0,0|1,0,0]=3 20309 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,2,0,0,0,0|1,0,0]=3 20310 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,2,0,0,0,0|1,0,0]=3 20311 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,2,0,0,0,0|1,0,0]=3 20312 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,2,0,0,0,0|2,0,0]=4 20313 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,2,0,0,0,0|2,0,0]=4 20314 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,2,0,0,0,0|2,0,0]=4 20315 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,2,0,0,0,0|1,0,0]=3 20316 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,2,0,0,0,0|1,0,0]=3 20317 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100000721315_100009816398 [0,2,0,0,0,0|2,0,0]=4 20318 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100009816398_100000721315 [0,2,0,0,0,0|2,0,0]=4 20319 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,2,0,0,0,0|2,0,0]=4 20320 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,2,0,0,0,0|2,0,0]=4 20321 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100009816398_100015193705 [0,2,0,0,0,0|2,0,0]=4 20322 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100015193705_100009816398 [0,2,0,0,0,0|2,0,0]=4 20323 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [0,2,0,0,0,0|1,0,0]=3 20324 B13R1.718 CN(CF)CCOc1ccccc1 269982a_100000184383_100015361967 [0,2,0,0,0,0|2,0,0]=4 20325 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,2,0,0,0,0|0,0,1]=3 20326 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,2,0,0,0,0|0,0,1]=3 20327 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,2,0,0,0,0|0,0,1]=3 20328 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,2,0,0,0,0|0,0,1]=3 20329 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,2,0,0,0,0|1,0,1]=4 20330 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,2,0,0,0,0|1,0,1]=4 20331 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,2,0,0,0,0|1,0,1]=4 20332 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,2,0,0,0,0|1,0,1]=4 20333 B13R1.718 CNC(=O)CCCc1ccncc1 11a_106832991635_100020654287 [0,2,0,0,0,0|1,0,1]=4 20334 B13R1.718 CNC(=O)CCCc1ccncc1 1626a_100102657272_100020654287 [0,2,0,0,0,0|1,0,1]=4 20335 B13R1.718 CNC(=O)CCCc1ccncc1 240690a_100102657272_100020654287 [0,2,0,0,0,0|1,0,1]=4 20336 B13R1.718 CNC(=O)CCCc1ccncc1 527a_100102657272_100020654287 [0,2,0,0,0,0|1,0,1]=4 20337 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,2,0,0,0,0|1,0,1]=4 20338 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,2,0,0,0,0|1,0,1]=4 20339 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,2,0,0,0,0|1,0,1]=4 20340 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,2,0,0,0,0|1,0,1]=4 20341 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,2,0,0,0,0|1,0,1]=4 20342 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,2,0,0,0,0|1,0,1]=4 20343 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,2,0,0,0,0|1,0,1]=4 20344 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,2,0,0,0,0|1,0,1]=4 20345 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,2,0,0,0,0|1,0,1]=4 20346 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,2,0,0,0,0|1,0,1]=4 20347 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,2,0,0,0,0|1,0,1]=4 20348 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,2,0,0,0,0|1,0,1]=4 20349 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,2,0,0,0,0|1,0,1]=4 20350 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,2,0,0,0,0|1,0,1]=4 20351 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,2,0,0,0,0|1,0,1]=4 20352 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,2,0,0,0,0|1,0,1]=4 20353 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,2,0,0,0,0|1,0,1]=4 20354 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,2,0,0,0,0|1,0,1]=4 20355 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,2,0,0,0,0|1,0,1]=4 20356 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,2,0,0,0,0|1,0,1]=4 20357 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,2,0,0,0,0|1,0,1]=4 20358 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,2,0,0,0,0|1,0,1]=4 20359 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,2,0,0,0,0|1,0,1]=4 20360 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,2,0,0,0,0|1,0,1]=4 20361 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,2,0,0,0,0|1,0,1]=4 20362 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,2,0,0,0,0|1,0,1]=4 20363 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,2,0,0,0,0|1,0,1]=4 20364 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,2,0,0,0,0|1,0,1]=4 20365 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,2,0,0,0,0|1,0,1]=4 20366 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,2,0,0,0,0|1,0,1]=4 20367 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,2,0,0,0,0|1,0,1]=4 20368 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,2,0,0,0,0|1,0,1]=4 20369 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,2,0,0,0,0|1,0,1]=4 20370 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,2,0,0,0,0|1,0,1]=4 20371 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,2,0,0,0,0|1,0,1]=4 20372 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,2,0,0,0,0|0,0,0]=2 20373 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,2,0,0,0,0|0,0,0]=2 20374 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,2,0,0,0,0|0,0,0]=2 20375 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,2,0,0,0,0|1,0,0]=3 20376 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,2,0,0,0,0|1,0,0]=3 20377 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,2,0,0,0,0|1,0,0]=3 20378 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,2,0,0,0,0|2,0,0]=4 20379 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,2,0,0,0,0|2,0,0]=4 20380 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,2,0,0,0,0|2,0,0]=4 20381 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,2,0,0,0,0|2,0,0]=4 20382 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,2,0,0,0,0|2,0,0]=4 20383 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,2,0,0,0,0|2,0,0]=4 20384 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,2,0,0,0,0|2,0,0]=4 20385 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,2,0,0,0,0|2,0,0]=4 20386 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,2,0,0,0,0|1,0,0]=3 20387 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,2,0,0,0,0|1,0,0]=3 20388 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,2,0,0,0,0|1,0,0]=3 20389 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,2,0,0,0,0|1,0,0]=3 20390 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,2,0,0,0,0|1,0,0]=3 20391 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,2,0,0,0,0|1,0,0]=3 20392 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,2,0,0,0,0|1,0,0]=3 20393 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,2,0,0,0,0|1,0,0]=3 20394 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [0,2,0,0,0,0|2,0,0]=4 20395 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [0,2,0,0,0,0|2,0,0]=4 20396 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [0,2,0,0,0,0|2,0,0]=4 20397 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [0,2,0,0,0,0|2,0,0]=4 20398 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100000059175_100015193705 [0,2,0,0,0,0|2,0,0]=4 20399 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100015193705_100000059175 [0,2,0,0,0,0|2,0,0]=4 20400 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,2,0,0,0,0|1,0,0]=3 20401 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [0,2,0,0,0,0|2,0,0]=4 20402 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [0,2,0,0,0,0|2,0,0]=4 20403 B13R1.718 C[C@H](CO)NCCc1ccncc1 2230a_100000737577_100000723409 [0,2,0,0,0,0|2,0,0]=4 20404 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [0,2,0,0,0,0|2,0,0]=4 20405 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,2,0,0,0,0|1,0,0]=3 20406 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,2,0,0,0,0|1,0,0]=3 20407 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [0,2,0,0,0,0|2,0,0]=4 20408 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [0,2,0,0,0,0|2,0,0]=4 20409 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [0,2,0,0,0,0|2,0,0]=4 20410 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [0,2,0,0,0,0|2,0,0]=4 20411 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100000723409_100016084084 [0,2,0,0,0,0|2,0,0]=4 20412 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100016084084_100000723409 [0,2,0,0,0,0|2,0,0]=4 20413 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [0,2,0,0,0,0|2,0,0]=4 20414 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [0,2,0,0,0,0|2,0,0]=4 20415 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [0,2,0,0,0,0|1,0,0]=3 20416 B13R1.718 ClCC(Cl)COCc1ccccn1 34a_100000033668_100000721315 [0,2,0,0,0,0|2,0,0]=4 20417 B13R1.718 ClCC(Cl)COCc1cccnc1 34a_100000033668_100000733263 [0,2,0,0,0,0|2,0,0]=4 20418 B13R1.718 N#CC(F)SCCc1ccccc1 62a_100000765856_200000117898 [0,2,0,0,0,0|0,0,2]=4 20419 B13R1.718 N#CC(F)SCCc1ccccc1 62a_200000117898_100011218657 [0,2,0,0,0,0|0,0,2]=4 20420 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,2,0,0,0,0|0,0,0]=2 20421 B13R1.718 NC[C@@H](F)COCc1ccccn1 34a_100015665980_100000721315 [0,2,0,0,0,0|1,0,0]=3 20422 B13R1.718 NC[C@@H](F)COCc1cccnc1 34a_100015665980_100000733263 [0,2,0,0,0,0|1,0,0]=3 20423 B13R1.718 NC[C@@H](F)COCc1cccnn1 34a_100015665980_100016990269 [0,2,0,0,0,0|2,0,0]=4 20424 B13R1.718 NC[C@@H](F)COCc1cnccn1 34a_100015665980_100016995436 [0,2,0,0,0,0|2,0,0]=4 20425 B13R1.718 NC[C@@H](F)COCc1cncnc1 34a_100015665980_100015196519 [0,2,0,0,0,0|2,0,0]=4 20426 B13R1.718 NC[C@@H](F)COCc1ncccn1 34a_100015665980_100000703007 [0,2,0,0,0,0|2,0,0]=4 20427 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,2,0,0,0,0|1,0,0]=3 20428 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,2,0,0,0,0|2,0,0]=4 20429 B13R1.718 O=C(CF)CCCc1ccncc1 1458a_100020654287_100015361967 [0,2,0,0,0,0|2,0,0]=4 20430 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,2,0,0,0,0|1,0,1]=4 20431 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,2,0,0,0,0|1,0,1]=4 20432 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,2,0,0,0,0|1,0,1]=4 20433 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,2,0,0,0,0|1,0,1]=4 20434 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,2,0,0,0,0|1,0,0]=3 20435 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,2,0,0,0,0|1,0,1]=4 20436 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,2,0,0,0,0|1,0,1]=4 20437 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,2,0,0,0,0|1,0,1]=4 20438 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,2,0,0,0,0|1,0,1]=4 20439 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,2,0,0,0,0|1,0,1]=4 20440 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,2,0,0,0,0|1,0,0]=3 20441 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,2,0,0,0,0|1,0,0]=3 20442 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,2,0,0,0,0|1,0,0]=3 20443 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,2,0,0,0,0|1,0,0]=3 20444 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,2,0,0,0,0|1,0,0]=3 20445 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,2,0,0,0,0|1,0,0]=3 20446 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [0,2,0,0,0,0|2,0,0]=4 20447 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [0,2,0,0,0,0|2,0,0]=4 20448 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [0,2,0,0,0,0|2,0,0]=4 20449 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [0,2,0,0,0,0|2,0,0]=4 20450 B13R1.718 OCC(O)CSCc1ccncc1 62a_100011219619_100015193705 [0,2,0,0,0,0|2,0,0]=4 20451 B13R1.718 OCC(O)CSCc1ccncc1 62a_100015193705_100011219619 [0,2,0,0,0,0|2,0,0]=4 20452 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,2,0,0,0,0|1,0,0]=3 20453 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,2,0,0,0,0|1,0,0]=3 20454 B13R1.718 OC[C@@H](O)CNCc1ccccn1 207a_100020644852_100000209966 [0,2,0,0,0,0|2,0,0]=4 20455 B13R1.718 OC[C@@H](O)CNCc1ccccn1 2230a_100020644852_100000721315 [0,2,0,0,0,0|2,0,0]=4 20456 B13R1.718 OC[C@@H](O)CNCc1cccnc1 207a_100020644852_100000209961 [0,2,0,0,0,0|2,0,0]=4 20457 B13R1.718 OC[C@@H](O)CNCc1cccnc1 2230a_100020644852_100000741622 [0,2,0,0,0,0|2,0,0]=4 20458 B13R1.718 OC[C@@H](O)CNCc1ccncc1 207a_100020644852_100000186114 [0,2,0,0,0,0|2,0,0]=4 20459 B13R1.718 OC[C@@H](O)CNCc1ccncc1 2230a_100020644852_100015193705 [0,2,0,0,0,0|2,0,0]=4 20460 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,2,0,0,0,0|1,0,0]=3 20461 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,2,0,0,0,0|1,0,0]=3 20462 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,2,0,0,0,0|1,0,0]=3 20463 B13R1.718 OC[C@H](F)CNCc1ccccn1 207a_100015665980_100000209966 [0,2,0,0,0,0|2,0,0]=4 20464 B13R1.718 OC[C@H](F)CNCc1ccccn1 270004a_100015665980_100000209966 [0,2,0,0,0,0|2,0,0]=4 20465 B13R1.718 OC[C@H](F)CNCc1ccccn1 34a_100015665980_100000721315 [0,2,0,0,0,0|2,0,0]=4 20466 B13R1.718 OC[C@H](F)CNCc1cccnc1 207a_100015665980_100000209961 [0,2,0,0,0,0|2,0,0]=4 20467 B13R1.718 OC[C@H](F)CNCc1cccnc1 270004a_100015665980_100000209961 [0,2,0,0,0,0|2,0,0]=4 20468 B13R1.718 OC[C@H](F)CNCc1cccnc1 34a_100015665980_100000733263 [0,2,0,0,0,0|2,0,0]=4 20469 B13R1.718 OC[C@H](F)CNCc1ccncc1 207a_100015665980_100000186114 [0,2,0,0,0,0|2,0,0]=4 20470 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,2,0,0,0,0|1,0,0]=3 20471 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,2,0,0,0,0|1,0,0]=3 20472 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,2,0,0,0,0|1,0,0]=3 20473 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,2,0,0,0,0|1,0,0]=3 20474 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,2,0,0,0,0|1,0,0]=3 20475 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,2,0,0,0,0|1,0,0]=3 20476 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [0,2,0,0,0,0|2,0,0]=4 20477 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [0,2,0,0,0,0|2,0,0]=4 20478 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [0,2,0,0,0,0|2,0,0]=4 20479 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [0,2,0,0,0,0|2,0,0]=4 20480 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100009815848_100015193705 [0,2,0,0,0,0|2,0,0]=4 20481 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100015193705_100009815848 [0,2,0,0,0,0|2,0,0]=4 20482 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,2,0,0,0,0|1,0,0]=3 20483 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,2,0,0,0,0|1,0,0]=3 20484 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,2,0,0,0,0|1,0,0]=3 20485 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,2,0,0,0,0|1,0,0]=3 20486 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,2,0,0,0,0|1,0,0]=3 20487 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,2,0,0,0,0|1,0,0]=3 20488 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100000721315_100015614560 [0,2,0,0,0,0|2,0,0]=4 20489 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100015614560_100000721315 [0,2,0,0,0,0|2,0,0]=4 20490 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100000741622_100015614560 [0,2,0,0,0,0|2,0,0]=4 20491 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100015614560_100000741622 [0,2,0,0,0,0|2,0,0]=4 20492 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015193705_100015614560 [0,2,0,0,0,0|2,0,0]=4 20493 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015614560_100015193705 [0,2,0,0,0,0|2,0,0]=4 20494 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,2,0,0,0,0|1,0,1]=4 20495 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,2,0,0,0,0|1,0,1]=4 20496 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,2,0,0,0,0|2,0,0]=4 20497 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,2,0,0,0,0|2,0,0]=4 20498 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|1,0,0]=3 20499 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,2,0,0,0,0|2,0,0]=4 20500 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,2,0,0,0,0|2,0,0]=4 20501 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,2,0,0,0,0|2,0,0]=4 20502 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,2,0,0,0,0|2,0,0]=4 20503 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,2,0,0,0,0|2,0,0]=4 20504 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,2,0,0,0,0|2,0,0]=4 20505 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,2,0,0,0,0|2,0,0]=4 20506 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,2,0,0,0,0|2,0,0]=4 20507 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,2,0,0,0,0|2,0,0]=4 20508 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,2,0,0,0,0|1,0,1]=4 20509 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,2,0,0,0,0|1,0,1]=4 20510 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,2,0,0,0,0|1,0,1]=4 20511 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,2,0,0,0,0|1,0,1]=4 20512 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,2,0,0,0,0|1,0,1]=4 20513 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,2,0,0,0,0|1,0,1]=4 20514 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 20515 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 20516 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 20517 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,2,0,0,0,0|2,0,0]=4 20518 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,2,0,0,0,0|2,0,0]=4 20519 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,2,0,0,0,0|2,0,0]=4 20520 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,2,0,0,0,0|2,0,0]=4 20521 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,2,0,0,0,0|2,0,0]=4 20522 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,2,0,0,0,0|2,0,0]=4 20523 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,2,0,0,0,0|2,0,0]=4 20524 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,2,0,0,0,0|2,0,0]=4 20525 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,2,0,0,0,0|1,0,1]=4 20526 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 20527 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 20528 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 20529 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 20530 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 20531 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,2,0,0,0,0|2,0,0]=4 20532 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,2,0,0,0,0|2,0,0]=4 20533 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,2,0,0,0,0|2,0,0]=4 20534 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,2,0,0,0,0|2,0,0]=4 20535 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,2,0,0,0,0|1,0,1]=4 20536 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 20537 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 20538 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 20539 B13R1.11 CN(CC(O)CO)c1ccccc1 2230a_100000210012_100011219619 [0,2,0,0,0,0|2,0,0]=4 20540 B13R1.11 CN(CC(O)CO)c1ccccc1 34a_100000210012_100011219619 [0,2,0,0,0,0|2,0,0]=4 20541 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [0,2,0,0,0,0|2,0,0]=4 20542 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 2230a_100000210012_100015614560 [0,2,0,0,0,0|2,0,0]=4 20543 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 34a_100000210012_100015614560 [0,2,0,0,0,0|2,0,0]=4 20544 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 2230a_100000210012_100009815848 [0,2,0,0,0,0|2,0,0]=4 20545 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 34a_100000210012_100009815848 [0,2,0,0,0,0|2,0,0]=4 20546 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,2,0,0,0,0|1,0,1]=4 20547 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [0,2,0,0,0,0|2,0,0]=4 20548 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [0,2,0,0,0,0|2,0,0]=4 20549 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [0,2,0,0,0,0|2,0,0]=4 20550 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,2,0,0,0,0|1,0,1]=4 20551 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,2,0,0,0,0|1,0,1]=4 20552 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,2,0,0,0,0|1,0,1]=4 20553 B13R1.15 CC(CF)OCc1cccc(c1)Br 34a_100016041109_100000698116 [0,2,0,0,0,0|2,0,0]=4 20554 B13R1.15 CC(CF)OCc1cccc(c1)Br 7a_100016041109_100000211773 [0,2,0,0,0,0|2,0,0]=4 20555 B13R1.15 CC(CF)OCc1cccc(c1)Cl 34a_100016041109_100000187163 [0,2,0,0,0,0|2,0,0]=4 20556 B13R1.15 CC(CF)OCc1cccc(c1)Cl 7a_100016041109_100000187163 [0,2,0,0,0,0|2,0,0]=4 20557 B13R1.15 CC(CF)OCc1cccc(c1)F 34a_100016041109_100000187166 [0,2,0,0,0,0|2,0,0]=4 20558 B13R1.15 CC(CF)OCc1cccc(c1)F 7a_100016041109_100000230114 [0,2,0,0,0,0|2,0,0]=4 20559 B13R1.15 CC(CF)OCc1cccc(c1)I 34a_100016041109_100011218688 [0,2,0,0,0,0|2,0,0]=4 20560 B13R1.15 CC(CF)OCc1cccc(c1)I 7a_100016041109_100011218688 [0,2,0,0,0,0|2,0,0]=4 20561 B13R1.15 CC(CF)OCc1cccc(c1)O 34a_100016041109_100011660834 [0,2,0,0,0,0|2,0,0]=4 20562 B13R1.15 CC(CF)OCc1cccc(c1)O 7a_100016041109_100000084143 [0,2,0,0,0,0|2,0,0]=4 20563 B13R1.15 CC(CN)OCc1cc(ccn1)Br 34a_100000210904_100010173614 [0,2,0,0,0,0|2,0,0]=4 20564 B13R1.15 CC(CN)OCc1cc(ccn1)Cl 34a_100000210904_100016988179 [0,2,0,0,0,0|2,0,0]=4 20565 B13R1.15 CC(CN)OCc1cccc(c1)Br 34a_100000210904_100000698116 [0,2,0,0,0,0|1,0,0]=3 20566 B13R1.15 CC(CN)OCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,2,0,0,0,0|1,0,0]=3 20567 B13R1.15 CC(CN)OCc1cccc(c1)F 34a_100000210904_100000187166 [0,2,0,0,0,0|1,0,0]=3 20568 B13R1.15 CC(CN)OCc1cccc(c1)I 34a_100000210904_100011218688 [0,2,0,0,0,0|1,0,0]=3 20569 B13R1.15 CC(CN)OCc1cccc(c1)O 34a_100000210904_100011660834 [0,2,0,0,0,0|1,0,0]=3 20570 B13R1.15 CC(CN)OCc1cccc(n1)Br 34a_100000210904_100009889011 [0,2,0,0,0,0|2,0,0]=4 20571 B13R1.15 CC(CN)OCc1cccc(n1)Cl 34a_100000210904_100000086093 [0,2,0,0,0,0|2,0,0]=4 20572 B13R1.15 CC(CN)OCc1cccc(n1)F 34a_100000210904_100009819644 [0,2,0,0,0,0|2,0,0]=4 20573 B13R1.15 CC(CN)OCc1ccnc(c1)Br 34a_100000210904_100010243470 [0,2,0,0,0,0|2,0,0]=4 20574 B13R1.15 CC(CN)OCc1ccnc(c1)Cl 34a_100000210904_100000764220 [0,2,0,0,0,0|2,0,0]=4 20575 B13R1.15 CC(CN)OCc1cncc(c1)Br 34a_100000210904_100000738771 [0,2,0,0,0,0|2,0,0]=4 20576 B13R1.15 CC(CN)OCc1cncc(c1)Cl 34a_100000210904_100016992070 [0,2,0,0,0,0|2,0,0]=4 20577 B13R1.15 CC(CN)OCc1cncc(c1)F 34a_100000210904_100000725299 [0,2,0,0,0,0|2,0,0]=4 20578 B13R1.15 CC(CO)NCc1cccc(c1)Br 2230a_100000174977_100012180447 [0,2,0,0,0,0|2,0,0]=4 20579 B13R1.15 CC(CO)NCc1cccc(c1)Br 34a_100000174977_100012180447 [0,2,0,0,0,0|2,0,0]=4 20580 B13R1.15 CC(CO)NCc1cccc(c1)Cl 2230a_100000174878_100012180447 [0,2,0,0,0,0|2,0,0]=4 20581 B13R1.15 CC(CO)NCc1cccc(c1)Cl 34a_100000174878_100012180447 [0,2,0,0,0,0|2,0,0]=4 20582 B13R1.15 CC(CO)NCc1cccc(c1)F 2230a_100000174948_100012180447 [0,2,0,0,0,0|2,0,0]=4 20583 B13R1.15 CC(CO)NCc1cccc(c1)F 34a_100000174948_100012180447 [0,2,0,0,0,0|2,0,0]=4 20584 B13R1.15 CC(CO)NCc1cccc(c1)I 2230a_100000106179_100012180447 [0,2,0,0,0,0|2,0,0]=4 20585 B13R1.15 CC(CO)NCc1cccc(c1)I 34a_100000106179_100012180447 [0,2,0,0,0,0|2,0,0]=4 20586 B13R1.15 CC(CO)NCc1cccc(c1)O 2230a_100000743036_100012180447 [0,2,0,0,0,0|2,0,0]=4 20587 B13R1.15 CC(CO)NCc1cccc(c1)O 34a_100000743036_100012180447 [0,2,0,0,0,0|2,0,0]=4 20588 B13R1.15 CC(CO)OCc1cccc(c1)Br 34a_100000687537_100012180447 [0,2,0,0,0,0|2,0,0]=4 20589 B13R1.15 CC(CO)OCc1cccc(c1)Br 7a_100000687537_100012180447 [0,2,0,0,0,0|2,0,0]=4 20590 B13R1.15 CC(CO)OCc1cccc(c1)Cl 34a_100000241301_100012180447 [0,2,0,0,0,0|2,0,0]=4 20591 B13R1.15 CC(CO)OCc1cccc(c1)Cl 7a_100000241301_100012180447 [0,2,0,0,0,0|2,0,0]=4 20592 B13R1.15 CC(CO)OCc1cccc(c1)F 34a_100000210976_100012180447 [0,2,0,0,0,0|2,0,0]=4 20593 B13R1.15 CC(CO)OCc1cccc(c1)F 7a_100000210976_100012180447 [0,2,0,0,0,0|2,0,0]=4 20594 B13R1.15 CC(CO)OCc1cccc(c1)I 34a_100011215336_100012180447 [0,2,0,0,0,0|2,0,0]=4 20595 B13R1.15 CC(CO)OCc1cccc(c1)I 7a_100011215336_100012180447 [0,2,0,0,0,0|2,0,0]=4 20596 B13R1.15 CC(CO)OCc1cccc(c1)N 34a_100000211919_100012180447 [0,2,0,0,0,0|2,0,0]=4 20597 B13R1.15 CC(CO)SCc1cccc(c1)Br 62a_100012180447_100000211773 [0,2,0,0,0,0|2,0,0]=4 20598 B13R1.15 CC(CO)SCc1cccc(c1)Cl 62a_100012180447_100000187163 [0,2,0,0,0,0|2,0,0]=4 20599 B13R1.15 CC(CO)SCc1cccc(c1)F 62a_100012180447_100000230114 [0,2,0,0,0,0|2,0,0]=4 20600 B13R1.15 CC(CO)SCc1cccc(c1)I 62a_100012180447_100011218688 [0,2,0,0,0,0|2,0,0]=4 20601 B13R1.15 CC(CO)SCc1cccc(c1)O 62a_100012180447_100011660834 [0,2,0,0,0,0|2,0,0]=4 20602 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,2,0,0,0,0|1,0,1]=4 20603 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,2,0,0,0,0|1,0,1]=4 20604 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,2,0,0,0,0|1,0,1]=4 20605 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,2,0,0,0,0|1,0,1]=4 20606 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,2,0,0,0,0|1,0,1]=4 20607 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,2,0,0,0,0|1,0,1]=4 20608 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,2,0,0,0,0|1,0,1]=4 20609 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,2,0,0,0,0|1,0,1]=4 20610 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,2,0,0,0,0|1,0,1]=4 20611 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,2,0,0,0,0|1,0,1]=4 20612 B13R1.15 CCC(C)CNc1cccc(c1)Br 34a_100000210019_100000748023 [0,2,0,0,0,0|2,0,0]=4 20613 B13R1.15 CCC(C)CNc1cccc(c1)C 2230a_100000188690_100000748023 [0,2,0,0,0,0|2,0,0]=4 20614 B13R1.15 CCC(C)CNc1cccc(c1)C 34a_100000188690_100000748023 [0,2,0,0,0,0|2,0,0]=4 20615 B13R1.15 CCC(C)CNc1cccc(c1)Cl 34a_100000185859_100000748023 [0,2,0,0,0,0|2,0,0]=4 20616 B13R1.15 CCC(C)CNc1cccc(c1)F 34a_100000210047_100000748023 [0,2,0,0,0,0|2,0,0]=4 20617 B13R1.15 CCC(C)CNc1cccc(c1)I 34a_100000211102_100000748023 [0,2,0,0,0,0|2,0,0]=4 20618 B13R1.15 CCC(C)CNc1cccc(c1)O 34a_100000210217_100000748023 [0,2,0,0,0,0|2,0,0]=4 20619 B13R1.15 CCC(C)COc1cccc(c1)Br 34a_100000210342_100000748023 [0,2,0,0,0,0|2,0,0]=4 20620 B13R1.15 CCC(C)COc1cccc(c1)Br 7a_100000210342_100000748023 [0,2,0,0,0,0|2,0,0]=4 20621 B13R1.15 CCC(C)COc1cccc(c1)C 34a_100000210337_100000748023 [0,2,0,0,0,0|2,0,0]=4 20622 B13R1.15 CCC(C)COc1cccc(c1)C 7a_100000210337_100000748023 [0,2,0,0,0,0|2,0,0]=4 20623 B13R1.15 CCC(C)COc1cccc(c1)Cl 34a_100000210295_100000748023 [0,2,0,0,0,0|2,0,0]=4 20624 B13R1.15 CCC(C)COc1cccc(c1)Cl 7a_100000210295_100000748023 [0,2,0,0,0,0|2,0,0]=4 20625 B13R1.15 CCC(C)COc1cccc(c1)F 34a_100000210426_100000748023 [0,2,0,0,0,0|2,0,0]=4 20626 B13R1.15 CCC(C)COc1cccc(c1)F 7a_100000210426_100000748023 [0,2,0,0,0,0|2,0,0]=4 20627 B13R1.15 CCC(C)COc1cccc(c1)I 34a_100000211634_100000748023 [0,2,0,0,0,0|2,0,0]=4 20628 B13R1.15 CCC(C)COc1cccc(c1)I 7a_100000211634_100000748023 [0,2,0,0,0,0|2,0,0]=4 20629 B13R1.15 CCC(C)COc1cccc(c1)N 34a_100000210217_100000748023 [0,2,0,0,0,0|2,0,0]=4 20630 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000691529_100000748023 [0,2,0,0,0,0|2,0,0]=4 20631 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000748023_100000691529 [0,2,0,0,0,0|2,0,0]=4 20632 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100000748023_100011215228 [0,2,0,0,0,0|2,0,0]=4 20633 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100011215228_100000748023 [0,2,0,0,0,0|2,0,0]=4 20634 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000699651_100000748023 [0,2,0,0,0,0|2,0,0]=4 20635 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000748023_100000699651 [0,2,0,0,0,0|2,0,0]=4 20636 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000685547_100000748023 [0,2,0,0,0,0|2,0,0]=4 20637 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000748023_100000685547 [0,2,0,0,0,0|2,0,0]=4 20638 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000210019_100000748023 [0,2,0,0,0,0|2,0,0]=4 20639 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000748023_100000210019 [0,2,0,0,0,0|2,0,0]=4 20640 B13R1.15 CCC(C)CSc1cccc(c1)O 62a_100000748023_100000211634 [0,2,0,0,0,0|2,0,0]=4 20641 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_100000748023_114929384022 [0,2,0,0,0,0|2,0,0]=4 20642 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_114929384022_100000748023 [0,2,0,0,0,0|2,0,0]=4 20643 B13R1.15 CCC(C)NCc1cccc(c1)Br 207a_100000209981_100000210085 [0,2,0,0,0,0|2,0,0]=4 20644 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000758301 [0,2,0,0,0,0|2,0,0]=4 20645 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000209981_100000698116 [0,2,0,0,0,0|2,0,0]=4 20646 B13R1.15 CCC(C)NCc1cccc(c1)Br 270004a_100000209981_100000210085 [0,2,0,0,0,0|2,0,0]=4 20647 B13R1.15 CCC(C)NCc1cccc(c1)Br 34a_100000174977_100011215416 [0,2,0,0,0,0|2,0,0]=4 20648 B13R1.15 CCC(C)NCc1cccc(c1)C 207a_100000209981_100000211157 [0,2,0,0,0,0|2,0,0]=4 20649 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000185548_100000758301 [0,2,0,0,0,0|2,0,0]=4 20650 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000209981_100000211840 [0,2,0,0,0,0|2,0,0]=4 20651 B13R1.15 CCC(C)NCc1cccc(c1)C 270004a_100000209981_100000211157 [0,2,0,0,0,0|2,0,0]=4 20652 B13R1.15 CCC(C)NCc1cccc(c1)C 34a_100000185548_100011215416 [0,2,0,0,0,0|2,0,0]=4 20653 B13R1.15 CCC(C)NCc1cccc(c1)Cl 207a_100000209981_100000210801 [0,2,0,0,0,0|2,0,0]=4 20654 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000758301 [0,2,0,0,0,0|2,0,0]=4 20655 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000209981_100000181238 [0,2,0,0,0,0|2,0,0]=4 20656 B13R1.15 CCC(C)NCc1cccc(c1)Cl 270004a_100000209981_100000210801 [0,2,0,0,0,0|2,0,0]=4 20657 B13R1.15 CCC(C)NCc1cccc(c1)Cl 34a_100000174878_100011215416 [0,2,0,0,0,0|2,0,0]=4 20658 B13R1.15 CCC(C)NCc1cccc(c1)F 207a_100000209981_100000210812 [0,2,0,0,0,0|2,0,0]=4 20659 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000174948_100000758301 [0,2,0,0,0,0|2,0,0]=4 20660 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000209981_100000230114 [0,2,0,0,0,0|2,0,0]=4 20661 B13R1.15 CCC(C)NCc1cccc(c1)F 270004a_100000209981_100000210812 [0,2,0,0,0,0|2,0,0]=4 20662 B13R1.15 CCC(C)NCc1cccc(c1)F 34a_100000174948_100011215416 [0,2,0,0,0,0|2,0,0]=4 20663 B13R1.15 CCC(C)NCc1cccc(c1)I 207a_100000209981_100000014684 [0,2,0,0,0,0|2,0,0]=4 20664 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000106179_100000758301 [0,2,0,0,0,0|2,0,0]=4 20665 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000209981_100011218688 [0,2,0,0,0,0|2,0,0]=4 20666 B13R1.15 CCC(C)NCc1cccc(c1)I 270004a_100000209981_100000014684 [0,2,0,0,0,0|2,0,0]=4 20667 B13R1.15 CCC(C)NCc1cccc(c1)I 34a_100000106179_100011215416 [0,2,0,0,0,0|2,0,0]=4 20668 B13R1.15 CCC(C)NCc1cccc(c1)O 207a_100000209981_100000188321 [0,2,0,0,0,0|2,0,0]=4 20669 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000209981_100011660834 [0,2,0,0,0,0|2,0,0]=4 20670 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000743036_100000758301 [0,2,0,0,0,0|2,0,0]=4 20671 B13R1.15 CCC(C)NCc1cccc(c1)O 270004a_100000209981_100000188321 [0,2,0,0,0,0|2,0,0]=4 20672 B13R1.15 CCC(C)NCc1cccc(c1)O 271570a_203496583355_100015184642 [0,2,0,0,0,0|2,0,0]=4 20673 B13R1.15 CCC(C)NCc1cccc(c1)O 34a_100000743036_100011215416 [0,2,0,0,0,0|2,0,0]=4 20674 B13R1.15 CCC(C)OCc1cccc(c1)Br 34a_100000687537_100011215416 [0,2,0,0,0,0|2,0,0]=4 20675 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000210228_100000211773 [0,2,0,0,0,0|2,0,0]=4 20676 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000687537_100000758301 [0,2,0,0,0,0|2,0,0]=4 20677 B13R1.15 CCC(C)OCc1cccc(c1)C 34a_100011217746_100011215416 [0,2,0,0,0,0|2,0,0]=4 20678 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100000210228_100000211840 [0,2,0,0,0,0|2,0,0]=4 20679 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100011217746_100000758301 [0,2,0,0,0,0|2,0,0]=4 20680 B13R1.15 CCC(C)OCc1cccc(c1)Cl 34a_100000241301_100011215416 [0,2,0,0,0,0|2,0,0]=4 20681 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000210228_100000187163 [0,2,0,0,0,0|2,0,0]=4 20682 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000758301 [0,2,0,0,0,0|2,0,0]=4 20683 B13R1.15 CCC(C)OCc1cccc(c1)F 34a_100000210976_100011215416 [0,2,0,0,0,0|2,0,0]=4 20684 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210228_100000230114 [0,2,0,0,0,0|2,0,0]=4 20685 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210976_100000758301 [0,2,0,0,0,0|2,0,0]=4 20686 B13R1.15 CCC(C)OCc1cccc(c1)I 34a_100011215336_100011215416 [0,2,0,0,0,0|2,0,0]=4 20687 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100000210228_100011218688 [0,2,0,0,0,0|2,0,0]=4 20688 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100011215336_100000758301 [0,2,0,0,0,0|2,0,0]=4 20689 B13R1.15 CCC(C)OCc1cccc(c1)N 34a_100000211919_100011215416 [0,2,0,0,0,0|2,0,0]=4 20690 B13R1.15 CCC(C)OCc1cccc(c1)O 7a_100000210228_100000084143 [0,2,0,0,0,0|2,0,0]=4 20691 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000211773_100000758301 [0,2,0,0,0,0|2,0,0]=4 20692 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000758301_100000211773 [0,2,0,0,0,0|2,0,0]=4 20693 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000211840_100000758301 [0,2,0,0,0,0|2,0,0]=4 20694 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000758301_100000211840 [0,2,0,0,0,0|2,0,0]=4 20695 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000758301 [0,2,0,0,0,0|2,0,0]=4 20696 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000758301_100000187163 [0,2,0,0,0,0|2,0,0]=4 20697 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000230114_100000758301 [0,2,0,0,0,0|2,0,0]=4 20698 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000758301_100000230114 [0,2,0,0,0,0|2,0,0]=4 20699 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100000758301_100011218688 [0,2,0,0,0,0|2,0,0]=4 20700 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100011218688_100000758301 [0,2,0,0,0,0|2,0,0]=4 20701 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100000758301_100011660834 [0,2,0,0,0,0|2,0,0]=4 20702 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100011660834_100000758301 [0,2,0,0,0,0|2,0,0]=4 20703 B13R1.15 CCC(O)CNc1cccc(c1)Br 34a_100000210019_100011218378 [0,2,0,0,0,0|2,0,0]=4 20704 B13R1.15 CCC(O)CNc1cccc(c1)C 2230a_100000188690_100011218378 [0,2,0,0,0,0|2,0,0]=4 20705 B13R1.15 CCC(O)CNc1cccc(c1)C 34a_100000188690_100011218378 [0,2,0,0,0,0|2,0,0]=4 20706 B13R1.15 CCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218378 [0,2,0,0,0,0|2,0,0]=4 20707 B13R1.15 CCC(O)CNc1cccc(c1)F 34a_100000210047_100011218378 [0,2,0,0,0,0|2,0,0]=4 20708 B13R1.15 CCC(O)CNc1cccc(c1)I 34a_100000211102_100011218378 [0,2,0,0,0,0|2,0,0]=4 20709 B13R1.15 CCC(O)CNc1cccc(c1)O 34a_100000210217_100011218378 [0,2,0,0,0,0|2,0,0]=4 20710 B13R1.15 CCC(O)COc1cccc(c1)Br 34a_100000210342_100011218378 [0,2,0,0,0,0|2,0,0]=4 20711 B13R1.15 CCC(O)COc1cccc(c1)Br 7a_100000210342_100011218378 [0,2,0,0,0,0|2,0,0]=4 20712 B13R1.15 CCC(O)COc1cccc(c1)C 34a_100000210337_100011218378 [0,2,0,0,0,0|2,0,0]=4 20713 B13R1.15 CCC(O)COc1cccc(c1)C 7a_100000210337_100011218378 [0,2,0,0,0,0|2,0,0]=4 20714 B13R1.15 CCC(O)COc1cccc(c1)Cl 34a_100000210295_100011218378 [0,2,0,0,0,0|2,0,0]=4 20715 B13R1.15 CCC(O)COc1cccc(c1)Cl 7a_100000210295_100011218378 [0,2,0,0,0,0|2,0,0]=4 20716 B13R1.15 CCC(O)COc1cccc(c1)F 34a_100000210426_100011218378 [0,2,0,0,0,0|2,0,0]=4 20717 B13R1.15 CCC(O)COc1cccc(c1)F 7a_100000210426_100011218378 [0,2,0,0,0,0|2,0,0]=4 20718 B13R1.15 CCC(O)COc1cccc(c1)I 34a_100000211634_100011218378 [0,2,0,0,0,0|2,0,0]=4 20719 B13R1.15 CCC(O)COc1cccc(c1)I 7a_100000211634_100011218378 [0,2,0,0,0,0|2,0,0]=4 20720 B13R1.15 CCC(O)COc1cccc(c1)N 34a_100000210217_100011218378 [0,2,0,0,0,0|2,0,0]=4 20721 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100000691529_100011218378 [0,2,0,0,0,0|2,0,0]=4 20722 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100011218378_100000691529 [0,2,0,0,0,0|2,0,0]=4 20723 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011215228_100011218378 [0,2,0,0,0,0|2,0,0]=4 20724 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011218378_100011215228 [0,2,0,0,0,0|2,0,0]=4 20725 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218378 [0,2,0,0,0,0|2,0,0]=4 20726 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100011218378_100000699651 [0,2,0,0,0,0|2,0,0]=4 20727 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100000685547_100011218378 [0,2,0,0,0,0|2,0,0]=4 20728 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100011218378_100000685547 [0,2,0,0,0,0|2,0,0]=4 20729 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100000210019_100011218378 [0,2,0,0,0,0|2,0,0]=4 20730 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100011218378_100000210019 [0,2,0,0,0,0|2,0,0]=4 20731 B13R1.15 CCC(O)CSc1cccc(c1)O 62a_100011218378_100000211634 [0,2,0,0,0,0|2,0,0]=4 20732 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_100011218378_114929384022 [0,2,0,0,0,0|2,0,0]=4 20733 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218378 [0,2,0,0,0,0|2,0,0]=4 20734 B13R1.15 CCN(C)CCc1cccc(c1)Br 2230a_100000225621_100011740638 [0,2,0,0,0,0|2,0,0]=4 20735 B13R1.15 CCN(C)CCc1cccc(c1)Br 269982a_100000225621_100011740638 [0,2,0,0,0,0|2,0,0]=4 20736 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_100000225621_100011713685 [0,2,0,0,0,0|2,0,0]=4 20737 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210202 [0,2,0,0,0,0|2,0,0]=4 20738 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_100000225621_100011713685 [0,2,0,0,0,0|2,0,0]=4 20739 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_114849113767_100000204670 [0,2,0,0,0,0|2,0,0]=4 20740 B13R1.15 CCN(C)CCc1cccc(c1)C 34a_114849113767_100000210202 [0,2,0,0,0,0|2,0,0]=4 20741 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_100000225621_100011713710 [0,2,0,0,0,0|2,0,0]=4 20742 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210202 [0,2,0,0,0,0|2,0,0]=4 20743 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_100000225621_100011713710 [0,2,0,0,0,0|2,0,0]=4 20744 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000204670 [0,2,0,0,0,0|2,0,0]=4 20745 B13R1.15 CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210202 [0,2,0,0,0,0|2,0,0]=4 20746 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_100000225621_100011217235 [0,2,0,0,0,0|2,0,0]=4 20747 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210202 [0,2,0,0,0,0|2,0,0]=4 20748 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_100000225621_100011217235 [0,2,0,0,0,0|2,0,0]=4 20749 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_106726388868_100000204670 [0,2,0,0,0,0|2,0,0]=4 20750 B13R1.15 CCN(C)CCc1cccc(c1)F 34a_106726388868_100000210202 [0,2,0,0,0,0|2,0,0]=4 20751 B13R1.15 CC[C@H](C)CNc1cccc(c1)Br 34a_100000210019_100009816398 [0,2,0,0,0,0|2,0,0]=4 20752 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 2230a_100000188690_100009816398 [0,2,0,0,0,0|2,0,0]=4 20753 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 34a_100000188690_100009816398 [0,2,0,0,0,0|2,0,0]=4 20754 B13R1.15 CC[C@H](C)CNc1cccc(c1)Cl 34a_100000185859_100009816398 [0,2,0,0,0,0|2,0,0]=4 20755 B13R1.15 CC[C@H](C)CNc1cccc(c1)F 34a_100000210047_100009816398 [0,2,0,0,0,0|2,0,0]=4 20756 B13R1.15 CC[C@H](C)CNc1cccc(c1)I 34a_100000211102_100009816398 [0,2,0,0,0,0|2,0,0]=4 20757 B13R1.15 CC[C@H](C)CNc1cccc(c1)O 34a_100000210217_100009816398 [0,2,0,0,0,0|2,0,0]=4 20758 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 34a_100000210342_100009816398 [0,2,0,0,0,0|2,0,0]=4 20759 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 7a_100000210342_100009816398 [0,2,0,0,0,0|2,0,0]=4 20760 B13R1.15 CC[C@H](C)COc1cccc(c1)C 34a_100000210337_100009816398 [0,2,0,0,0,0|2,0,0]=4 20761 B13R1.15 CC[C@H](C)COc1cccc(c1)C 7a_100000210337_100009816398 [0,2,0,0,0,0|2,0,0]=4 20762 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 34a_100000210295_100009816398 [0,2,0,0,0,0|2,0,0]=4 20763 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 7a_100000210295_100009816398 [0,2,0,0,0,0|2,0,0]=4 20764 B13R1.15 CC[C@H](C)COc1cccc(c1)F 34a_100000210426_100009816398 [0,2,0,0,0,0|2,0,0]=4 20765 B13R1.15 CC[C@H](C)COc1cccc(c1)F 7a_100000210426_100009816398 [0,2,0,0,0,0|2,0,0]=4 20766 B13R1.15 CC[C@H](C)COc1cccc(c1)I 34a_100000211634_100009816398 [0,2,0,0,0,0|2,0,0]=4 20767 B13R1.15 CC[C@H](C)COc1cccc(c1)I 7a_100000211634_100009816398 [0,2,0,0,0,0|2,0,0]=4 20768 B13R1.15 CC[C@H](C)COc1cccc(c1)N 34a_100000210217_100009816398 [0,2,0,0,0,0|2,0,0]=4 20769 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100000691529_100009816398 [0,2,0,0,0,0|2,0,0]=4 20770 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100009816398_100000691529 [0,2,0,0,0,0|2,0,0]=4 20771 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100009816398_100011215228 [0,2,0,0,0,0|2,0,0]=4 20772 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100011215228_100009816398 [0,2,0,0,0,0|2,0,0]=4 20773 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100000699651_100009816398 [0,2,0,0,0,0|2,0,0]=4 20774 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100009816398_100000699651 [0,2,0,0,0,0|2,0,0]=4 20775 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100000685547_100009816398 [0,2,0,0,0,0|2,0,0]=4 20776 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100009816398_100000685547 [0,2,0,0,0,0|2,0,0]=4 20777 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100000210019_100009816398 [0,2,0,0,0,0|2,0,0]=4 20778 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100009816398_100000210019 [0,2,0,0,0,0|2,0,0]=4 20779 B13R1.15 CC[C@H](C)CSc1cccc(c1)O 62a_100009816398_100000211634 [0,2,0,0,0,0|2,0,0]=4 20780 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_100009816398_114929384022 [0,2,0,0,0,0|2,0,0]=4 20781 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_114929384022_100009816398 [0,2,0,0,0,0|2,0,0]=4 20782 B13R1.15 CN(CF)CCc1cccc(c1)Cl 269982a_106726388433_100015361967 [0,2,0,0,0,0|2,0,0]=4 20783 B13R1.15 CN(CF)CCc1cccc(c1)Cl 34a_106726388433_100015361967 [0,2,0,0,0,0|2,0,0]=4 20784 B13R1.15 CN(CF)CCc1cccc(c1)F 269982a_106726388868_100015361967 [0,2,0,0,0,0|2,0,0]=4 20785 B13R1.15 CN(CF)CCc1cccc(c1)F 34a_106726388868_100015361967 [0,2,0,0,0,0|2,0,0]=4 20786 B13R1.15 CNC(C)CCc1cccc(c1)Br 270004a_106832991635_100011279149 [0,2,0,0,0,0|2,0,0]=4 20787 B13R1.15 CNC(C)CCc1cccc(c1)F 270004a_106832991635_100000743863 [0,2,0,0,0,0|2,0,0]=4 20788 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br 34a_100000210019_100000059175 [0,2,0,0,0,0|2,0,0]=4 20789 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 34a_100000185859_100000059175 [0,2,0,0,0,0|2,0,0]=4 20790 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F 34a_100000210047_100000059175 [0,2,0,0,0,0|2,0,0]=4 20791 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 34a_100000211102_100000059175 [0,2,0,0,0,0|2,0,0]=4 20792 B13R1.15 C[C@@H](CO)CNc1cccc(c1)O 34a_100000210217_100000059175 [0,2,0,0,0,0|2,0,0]=4 20793 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [0,2,0,0,0,0|2,0,0]=4 20794 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [0,2,0,0,0,0|2,0,0]=4 20795 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [0,2,0,0,0,0|2,0,0]=4 20796 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [0,2,0,0,0,0|2,0,0]=4 20797 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [0,2,0,0,0,0|2,0,0]=4 20798 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [0,2,0,0,0,0|2,0,0]=4 20799 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [0,2,0,0,0,0|2,0,0]=4 20800 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [0,2,0,0,0,0|2,0,0]=4 20801 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [0,2,0,0,0,0|2,0,0]=4 20802 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000059175_100000691529 [0,2,0,0,0,0|2,0,0]=4 20803 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000691529_100000059175 [0,2,0,0,0,0|2,0,0]=4 20804 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000059175_100000699651 [0,2,0,0,0,0|2,0,0]=4 20805 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000699651_100000059175 [0,2,0,0,0,0|2,0,0]=4 20806 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000059175_100000685547 [0,2,0,0,0,0|2,0,0]=4 20807 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000685547_100000059175 [0,2,0,0,0,0|2,0,0]=4 20808 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000059175_100000210019 [0,2,0,0,0,0|2,0,0]=4 20809 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000210019_100000059175 [0,2,0,0,0,0|2,0,0]=4 20810 B13R1.15 C[C@@H](CO)CSc1cccc(c1)O 62a_100000059175_100000211634 [0,2,0,0,0,0|2,0,0]=4 20811 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_100000059175_114929384022 [0,2,0,0,0,0|2,0,0]=4 20812 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_114929384022_100000059175 [0,2,0,0,0,0|2,0,0]=4 20813 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 207a_100102880703_100000210085 [0,2,0,0,0,0|2,0,0]=4 20814 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 270004a_100102880703_100000210085 [0,2,0,0,0,0|2,0,0]=4 20815 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 207a_100102880703_100000210801 [0,2,0,0,0,0|2,0,0]=4 20816 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 270004a_100102880703_100000210801 [0,2,0,0,0,0|2,0,0]=4 20817 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 207a_100102880703_100000210812 [0,2,0,0,0,0|2,0,0]=4 20818 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 270004a_100102880703_100000210812 [0,2,0,0,0,0|2,0,0]=4 20819 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 207a_100102880703_100000014684 [0,2,0,0,0,0|2,0,0]=4 20820 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 270004a_100102880703_100000014684 [0,2,0,0,0,0|2,0,0]=4 20821 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 207a_100102880703_100000188321 [0,2,0,0,0,0|2,0,0]=4 20822 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 270004a_100102880703_100000188321 [0,2,0,0,0,0|2,0,0]=4 20823 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 207a_100000737577_100000210085 [0,2,0,0,0,0|2,0,0]=4 20824 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 2230a_100000737577_100000698116 [0,2,0,0,0,0|2,0,0]=4 20825 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 270004a_100000737577_100000210085 [0,2,0,0,0,0|2,0,0]=4 20826 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 207a_100000737577_100000210801 [0,2,0,0,0,0|2,0,0]=4 20827 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 2230a_100000737577_100000181238 [0,2,0,0,0,0|2,0,0]=4 20828 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 270004a_100000737577_100000210801 [0,2,0,0,0,0|2,0,0]=4 20829 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 207a_100000737577_100000210812 [0,2,0,0,0,0|2,0,0]=4 20830 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 2230a_100000737577_100000230114 [0,2,0,0,0,0|2,0,0]=4 20831 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 270004a_100000737577_100000210812 [0,2,0,0,0,0|2,0,0]=4 20832 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 207a_100000737577_100000014684 [0,2,0,0,0,0|2,0,0]=4 20833 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 2230a_100000737577_100011218688 [0,2,0,0,0,0|2,0,0]=4 20834 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 270004a_100000737577_100000014684 [0,2,0,0,0,0|2,0,0]=4 20835 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 207a_100000737577_100000188321 [0,2,0,0,0,0|2,0,0]=4 20836 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 2230a_100000737577_100011660834 [0,2,0,0,0,0|2,0,0]=4 20837 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 270004a_100000737577_100000188321 [0,2,0,0,0,0|2,0,0]=4 20838 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100000211773_100016084084 [0,2,0,0,0,0|2,0,0]=4 20839 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100016084084_100000211773 [0,2,0,0,0,0|2,0,0]=4 20840 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100000187163_100016084084 [0,2,0,0,0,0|2,0,0]=4 20841 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100016084084_100000187163 [0,2,0,0,0,0|2,0,0]=4 20842 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100000230114_100016084084 [0,2,0,0,0,0|2,0,0]=4 20843 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100016084084_100000230114 [0,2,0,0,0,0|2,0,0]=4 20844 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100011218688_100016084084 [0,2,0,0,0,0|2,0,0]=4 20845 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100016084084_100011218688 [0,2,0,0,0,0|2,0,0]=4 20846 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100011660834_100016084084 [0,2,0,0,0,0|2,0,0]=4 20847 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100016084084_100011660834 [0,2,0,0,0,0|2,0,0]=4 20848 B13R1.15 Cc1cc(ccn1)COC(C)CN 34a_100000210904_200020672517 [0,2,0,0,0,0|2,0,0]=4 20849 B13R1.15 Cc1cccc(c1)CCC(=O)CF 1458a_100000234952_100015361967 [0,2,0,0,0,0|1,0,1]=4 20850 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,2,0,0,0,0|1,0,1]=4 20851 B13R1.15 Cc1cccc(c1)CCN(C)CF 269982a_114849113767_100015361967 [0,2,0,0,0,0|2,0,0]=4 20852 B13R1.15 Cc1cccc(c1)CCN(C)CF 34a_114849113767_100015361967 [0,2,0,0,0,0|2,0,0]=4 20853 B13R1.15 Cc1cccc(c1)CNC(C)CO 2230a_100000185548_100012180447 [0,2,0,0,0,0|2,0,0]=4 20854 B13R1.15 Cc1cccc(c1)CNC(C)CO 34a_100000185548_100012180447 [0,2,0,0,0,0|2,0,0]=4 20855 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 207a_100102880703_100000211157 [0,2,0,0,0,0|2,0,0]=4 20856 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 270004a_100102880703_100000211157 [0,2,0,0,0,0|2,0,0]=4 20857 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 207a_100000737577_100000211157 [0,2,0,0,0,0|2,0,0]=4 20858 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 2230a_100000737577_100000211840 [0,2,0,0,0,0|2,0,0]=4 20859 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 270004a_100000737577_100000211157 [0,2,0,0,0,0|2,0,0]=4 20860 B13R1.15 Cc1cccc(c1)COC(C)CF 34a_100016041109_100000211840 [0,2,0,0,0,0|2,0,0]=4 20861 B13R1.15 Cc1cccc(c1)COC(C)CF 7a_100016041109_100000211840 [0,2,0,0,0,0|2,0,0]=4 20862 B13R1.15 Cc1cccc(c1)COC(C)CN 34a_100000210904_100000211840 [0,2,0,0,0,0|1,0,0]=3 20863 B13R1.15 Cc1cccc(c1)COC(C)CO 34a_100011217746_100012180447 [0,2,0,0,0,0|2,0,0]=4 20864 B13R1.15 Cc1cccc(c1)COC(C)CO 7a_100011217746_100012180447 [0,2,0,0,0,0|2,0,0]=4 20865 B13R1.15 Cc1cccc(c1)CSC(C)CO 62a_100012180447_100000211840 [0,2,0,0,0,0|2,0,0]=4 20866 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100000211840_100016084084 [0,2,0,0,0,0|2,0,0]=4 20867 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100016084084_100000211840 [0,2,0,0,0,0|2,0,0]=4 20868 B13R1.15 Cc1cccc(c1)NCC(O)CO 2230a_100000188690_100011219619 [0,2,0,0,0,0|2,0,0]=4 20869 B13R1.15 Cc1cccc(c1)NCC(O)CO 34a_100000188690_100011219619 [0,2,0,0,0,0|2,0,0]=4 20870 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 2230a_100000188690_100000059175 [0,2,0,0,0,0|2,0,0]=4 20871 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 34a_100000188690_100000059175 [0,2,0,0,0,0|2,0,0]=4 20872 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 2230a_100000188690_100015614560 [0,2,0,0,0,0|2,0,0]=4 20873 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 34a_100000188690_100015614560 [0,2,0,0,0,0|2,0,0]=4 20874 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 2230a_100000188690_100009815848 [0,2,0,0,0,0|2,0,0]=4 20875 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 34a_100000188690_100009815848 [0,2,0,0,0,0|2,0,0]=4 20876 B13R1.15 Cc1cccc(c1)OCC(O)CO 34a_100000210337_100011219619 [0,2,0,0,0,0|2,0,0]=4 20877 B13R1.15 Cc1cccc(c1)OCC(O)CO 7a_100000210337_100011219619 [0,2,0,0,0,0|2,0,0]=4 20878 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [0,2,0,0,0,0|2,0,0]=4 20879 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [0,2,0,0,0,0|2,0,0]=4 20880 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 34a_100000210337_100015614560 [0,2,0,0,0,0|2,0,0]=4 20881 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 7a_100000210337_100015614560 [0,2,0,0,0,0|2,0,0]=4 20882 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 34a_100000210337_100009815848 [0,2,0,0,0,0|2,0,0]=4 20883 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 7a_100000210337_100009815848 [0,2,0,0,0,0|2,0,0]=4 20884 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011215228_100011219619 [0,2,0,0,0,0|2,0,0]=4 20885 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011219619_100011215228 [0,2,0,0,0,0|2,0,0]=4 20886 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100011215228 [0,2,0,0,0,0|2,0,0]=4 20887 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100011215228_100000059175 [0,2,0,0,0,0|2,0,0]=4 20888 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100011215228_100015614560 [0,2,0,0,0,0|2,0,0]=4 20889 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100011215228 [0,2,0,0,0,0|2,0,0]=4 20890 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100011215228 [0,2,0,0,0,0|2,0,0]=4 20891 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100011215228_100009815848 [0,2,0,0,0,0|2,0,0]=4 20892 B13R1.15 Cc1cccc(n1)COC(C)CN 34a_100000210904_100000757606 [0,2,0,0,0,0|2,0,0]=4 20893 B13R1.15 Cc1ccnc(c1)COC(C)CN 34a_100000210904_100000718516 [0,2,0,0,0,0|2,0,0]=4 20894 B13R1.15 Cc1cncc(c1)COC(C)CN 34a_100000210904_100000716715 [0,2,0,0,0,0|2,0,0]=4 20895 B13R1.15 Nc1cccc(c1)OCC(O)CO 34a_100000210217_100011219619 [0,2,0,0,0,0|2,0,0]=4 20896 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CF 34a_100000210217_100015614560 [0,2,0,0,0,0|2,0,0]=4 20897 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CO 34a_100000210217_100009815848 [0,2,0,0,0,0|2,0,0]=4 20898 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100000210019_100011219619 [0,2,0,0,0,0|2,0,0]=4 20899 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100011219619_100000210019 [0,2,0,0,0,0|2,0,0]=4 20900 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100000210019_100015614560 [0,2,0,0,0,0|2,0,0]=4 20901 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000210019 [0,2,0,0,0,0|2,0,0]=4 20902 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100000210019_100009815848 [0,2,0,0,0,0|2,0,0]=4 20903 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100000210019 [0,2,0,0,0,0|2,0,0]=4 20904 B13R1.15 O=C(CF)CCc1cccc(c1)Br 1458a_100000184314_100015361967 [0,2,0,0,0,0|1,0,1]=4 20905 B13R1.15 O=C(CF)CCc1cccc(c1)Cl 1458a_100000235675_100015361967 [0,2,0,0,0,0|1,0,1]=4 20906 B13R1.15 O=C(CF)CCc1cccc(c1)F 1458a_100000235673_100015361967 [0,2,0,0,0,0|1,0,1]=4 20907 B13R1.15 O=C(CF)CCc1cccc(c1)I 1458a_100010007846_100015361967 [0,2,0,0,0,0|1,0,1]=4 20908 B13R1.15 O=C(CF)CCc1cccc(c1)O 1458a_100011216126_100015361967 [0,2,0,0,0,0|1,0,1]=4 20909 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,2,0,0,0,0|1,0,1]=4 20910 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,2,0,0,0,0|1,0,1]=4 20911 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,2,0,0,0,0|1,0,1]=4 20912 B13R1.15 OCC(O)CNc1cccc(c1)Br 34a_100000210019_100011219619 [0,2,0,0,0,0|2,0,0]=4 20913 B13R1.15 OCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011219619 [0,2,0,0,0,0|2,0,0]=4 20914 B13R1.15 OCC(O)CNc1cccc(c1)F 34a_100000210047_100011219619 [0,2,0,0,0,0|2,0,0]=4 20915 B13R1.15 OCC(O)CNc1cccc(c1)I 34a_100000211102_100011219619 [0,2,0,0,0,0|2,0,0]=4 20916 B13R1.15 OCC(O)CNc1cccc(c1)O 34a_100000210217_100011219619 [0,2,0,0,0,0|2,0,0]=4 20917 B13R1.15 OCC(O)COc1cccc(c1)Br 34a_100000210342_100011219619 [0,2,0,0,0,0|2,0,0]=4 20918 B13R1.15 OCC(O)COc1cccc(c1)Br 7a_100000210342_100011219619 [0,2,0,0,0,0|2,0,0]=4 20919 B13R1.15 OCC(O)COc1cccc(c1)Cl 34a_100000210295_100011219619 [0,2,0,0,0,0|2,0,0]=4 20920 B13R1.15 OCC(O)COc1cccc(c1)Cl 7a_100000210295_100011219619 [0,2,0,0,0,0|2,0,0]=4 20921 B13R1.15 OCC(O)COc1cccc(c1)F 34a_100000210426_100011219619 [0,2,0,0,0,0|2,0,0]=4 20922 B13R1.15 OCC(O)COc1cccc(c1)F 7a_100000210426_100011219619 [0,2,0,0,0,0|2,0,0]=4 20923 B13R1.15 OCC(O)COc1cccc(c1)I 34a_100000211634_100011219619 [0,2,0,0,0,0|2,0,0]=4 20924 B13R1.15 OCC(O)COc1cccc(c1)I 7a_100000211634_100011219619 [0,2,0,0,0,0|2,0,0]=4 20925 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100000691529_100011219619 [0,2,0,0,0,0|2,0,0]=4 20926 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100011219619_100000691529 [0,2,0,0,0,0|2,0,0]=4 20927 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011219619 [0,2,0,0,0,0|2,0,0]=4 20928 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100011219619_100000699651 [0,2,0,0,0,0|2,0,0]=4 20929 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100000685547_100011219619 [0,2,0,0,0,0|2,0,0]=4 20930 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100011219619_100000685547 [0,2,0,0,0,0|2,0,0]=4 20931 B13R1.15 OCC(O)CSc1cccc(c1)O 62a_100011219619_100000211634 [0,2,0,0,0,0|2,0,0]=4 20932 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_100011219619_114929384022 [0,2,0,0,0,0|2,0,0]=4 20933 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011219619 [0,2,0,0,0,0|2,0,0]=4 20934 B13R1.15 OC[C@H](O)CNc1cccc(c1)Br 34a_100000210019_100009815848 [0,2,0,0,0,0|2,0,0]=4 20935 B13R1.15 OC[C@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009815848 [0,2,0,0,0,0|2,0,0]=4 20936 B13R1.15 OC[C@H](O)CNc1cccc(c1)F 34a_100000210047_100009815848 [0,2,0,0,0,0|2,0,0]=4 20937 B13R1.15 OC[C@H](O)CNc1cccc(c1)I 34a_100000211102_100009815848 [0,2,0,0,0,0|2,0,0]=4 20938 B13R1.15 OC[C@H](O)CNc1cccc(c1)O 34a_100000210217_100009815848 [0,2,0,0,0,0|2,0,0]=4 20939 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 34a_100000210342_100009815848 [0,2,0,0,0,0|2,0,0]=4 20940 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 7a_100000210342_100009815848 [0,2,0,0,0,0|2,0,0]=4 20941 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 34a_100000210295_100009815848 [0,2,0,0,0,0|2,0,0]=4 20942 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 7a_100000210295_100009815848 [0,2,0,0,0,0|2,0,0]=4 20943 B13R1.15 OC[C@H](O)COc1cccc(c1)F 34a_100000210426_100009815848 [0,2,0,0,0,0|2,0,0]=4 20944 B13R1.15 OC[C@H](O)COc1cccc(c1)F 7a_100000210426_100009815848 [0,2,0,0,0,0|2,0,0]=4 20945 B13R1.15 OC[C@H](O)COc1cccc(c1)I 34a_100000211634_100009815848 [0,2,0,0,0,0|2,0,0]=4 20946 B13R1.15 OC[C@H](O)COc1cccc(c1)I 7a_100000211634_100009815848 [0,2,0,0,0,0|2,0,0]=4 20947 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100000691529_100009815848 [0,2,0,0,0,0|2,0,0]=4 20948 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100009815848_100000691529 [0,2,0,0,0,0|2,0,0]=4 20949 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009815848 [0,2,0,0,0,0|2,0,0]=4 20950 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100009815848_100000699651 [0,2,0,0,0,0|2,0,0]=4 20951 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100000685547_100009815848 [0,2,0,0,0,0|2,0,0]=4 20952 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100009815848_100000685547 [0,2,0,0,0,0|2,0,0]=4 20953 B13R1.15 OC[C@H](O)CSc1cccc(c1)O 62a_100009815848_100000211634 [0,2,0,0,0,0|2,0,0]=4 20954 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_100009815848_114929384022 [0,2,0,0,0,0|2,0,0]=4 20955 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009815848 [0,2,0,0,0,0|2,0,0]=4 20956 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Br 34a_100000210019_100015614560 [0,2,0,0,0,0|2,0,0]=4 20957 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Cl 34a_100000185859_100015614560 [0,2,0,0,0,0|2,0,0]=4 20958 B13R1.15 O[C@@H](CF)CNc1cccc(c1)F 34a_100000210047_100015614560 [0,2,0,0,0,0|2,0,0]=4 20959 B13R1.15 O[C@@H](CF)CNc1cccc(c1)I 34a_100000211102_100015614560 [0,2,0,0,0,0|2,0,0]=4 20960 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 34a_100000210342_100015614560 [0,2,0,0,0,0|2,0,0]=4 20961 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 7a_100000210342_100015614560 [0,2,0,0,0,0|2,0,0]=4 20962 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 34a_100000210295_100015614560 [0,2,0,0,0,0|2,0,0]=4 20963 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 7a_100000210295_100015614560 [0,2,0,0,0,0|2,0,0]=4 20964 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 34a_100000210426_100015614560 [0,2,0,0,0,0|2,0,0]=4 20965 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 7a_100000210426_100015614560 [0,2,0,0,0,0|2,0,0]=4 20966 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 34a_100000211634_100015614560 [0,2,0,0,0,0|2,0,0]=4 20967 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 7a_100000211634_100015614560 [0,2,0,0,0,0|2,0,0]=4 20968 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100000691529_100015614560 [0,2,0,0,0,0|2,0,0]=4 20969 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100015614560_100000691529 [0,2,0,0,0,0|2,0,0]=4 20970 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100000699651_100015614560 [0,2,0,0,0,0|2,0,0]=4 20971 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100015614560_100000699651 [0,2,0,0,0,0|2,0,0]=4 20972 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100000685547_100015614560 [0,2,0,0,0,0|2,0,0]=4 20973 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100015614560_100000685547 [0,2,0,0,0,0|2,0,0]=4 20974 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_100015614560_114929384022 [0,2,0,0,0,0|2,0,0]=4 20975 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_114929384022_100015614560 [0,2,0,0,0,0|2,0,0]=4 20976 B13R1.15 Oc1cccc(c1)NC[C@@H](O)CF 34a_100000210217_100015614560 [0,2,0,0,0,0|2,0,0]=4 20977 B13R1.15 Oc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000211634 [0,2,0,0,0,0|2,0,0]=4 20978 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [0,2,0,0,0,0|2,0,0]=4 20979 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [0,2,0,0,0,0|2,0,0]=4 20980 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [0,2,0,0,0,0|2,0,0]=4 20981 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [0,2,0,0,0,0|2,0,0]=4 20982 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,2,0,0,0,0|1,0,1]=4 20983 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,2,0,0,0,0|1,0,1]=4 20984 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,2,0,0,0,0|1,0,1]=4 20985 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,2,0,0,0,0|1,0,1]=4 20986 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,2,0,0,0,0|1,0,1]=4 20987 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,2,0,0,0,0|1,0,1]=4 20988 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,2,0,0,0,0|2,0,0]=4 20989 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,2,0,0,0,0|2,0,0]=4 20990 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,2,0,0,0,0|2,0,0]=4 20991 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,2,0,0,0,0|2,0,0]=4 20992 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,2,0,0,0,0|2,0,0]=4 20993 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,2,0,0,0,0|2,0,0]=4 20994 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,2,0,0,0,0|2,0,0]=4 20995 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,2,0,0,0,0|2,0,0]=4 20996 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,2,0,0,0,0|2,0,0]=4 20997 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,2,0,0,0,0|1,0,1]=4 20998 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,2,0,0,0,0|2,0,0]=4 20999 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,2,0,0,0,0|2,0,0]=4 21000 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,2,0,0,0,0|2,0,0]=4 21001 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [0,2,0,0,0,0|2,0,0]=4 21002 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [0,2,0,0,0,0|2,0,0]=4 21003 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [0,2,0,0,0,0|2,0,0]=4 21004 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [0,2,0,0,0,0|2,0,0]=4 21005 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [0,2,0,0,0,0|2,0,0]=4 21006 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,2,0,0,0,0|1,0,1]=4 21007 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,2,0,0,0,0|1,0,1]=4 21008 B13R1.254 CC(C)(CCc1ccccc1)O[13CH3] 7a_100000750528_200025704644 [0,2,0,0,0,0|2,0,0]=4 21009 B13R1.254 CC(C)(CCl)OCc1ccccc1 7a_100000764493_100000211182 [0,2,0,0,0,0|2,0,0]=4 21010 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [0,2,0,0,0,0|2,0,0]=4 21011 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [0,2,0,0,0,0|2,0,0]=4 21012 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [0,2,0,0,0,0|2,0,0]=4 21013 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [0,2,0,0,0,0|2,0,0]=4 21014 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [0,2,0,0,0,0|2,0,0]=4 21015 B13R1.254 CC(C)(CO)NCc1ccccc1 207a_100000210608_100015611070 [0,2,0,0,0,0|2,0,0]=4 21016 B13R1.254 CC(C)(CO)NCc1ccccc1 2230a_100000210608_100015291786 [0,2,0,0,0,0|2,0,0]=4 21017 B13R1.254 CC(C)(CO)NCc1ccccc1 270004a_100000210608_100015611070 [0,2,0,0,0,0|2,0,0]=4 21018 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [0,2,0,0,0,0|2,0,0]=4 21019 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [0,2,0,0,0,0|2,0,0]=4 21020 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [0,2,0,0,0,0|2,0,0]=4 21021 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [0,2,0,0,0,0|2,0,0]=4 21022 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [0,2,0,0,0,0|2,0,0]=4 21023 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [0,2,0,0,0,0|2,0,0]=4 21024 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [0,2,0,0,0,0|2,0,0]=4 21025 B13R1.254 COC(C)(C)CCc1ccccc1 7a_100000750528_200000210301 [0,2,0,0,0,0|2,0,0]=4 21026 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100000211182_100011217949 [0,2,0,0,0,0|2,0,0]=4 21027 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100011217949_100015291786 [0,2,0,0,0,0|2,0,0]=4 21028 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,2,0,0,0,0|1,0,1]=4 21029 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,2,0,0,0,0|1,0,1]=4 21030 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [0,2,0,0,0,0|1,0,1]=4 21031 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [0,2,0,0,0,0|1,0,1]=4 21032 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,2,0,0,0,0|2,0,0]=4 21033 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,2,0,0,0,0|2,0,0]=4 21034 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,2,0,0,0,0|2,0,0]=4 21035 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,2,0,0,0,0|2,0,0]=4 21036 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000200190_200000210301 [0,2,0,0,0,0|2,0,0]=4 21037 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000207497_100000210206 [0,2,0,0,0,0|2,0,0]=4 21038 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000200190_200000210301 [0,2,0,0,0,0|2,0,0]=4 21039 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000207497_100000210206 [0,2,0,0,0,0|2,0,0]=4 21040 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_200000211004_100000765856 [0,2,0,0,0,0|2,0,0]=4 21041 B13R1.351 CC(C)N(C)CCc1ccccc1 34a_100000200190_200000210301 [0,2,0,0,0,0|2,0,0]=4 21042 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 2230a_100000200190_200025704644 [0,2,0,0,0,0|2,0,0]=4 21043 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 269982a_100000200190_200025704644 [0,2,0,0,0,0|2,0,0]=4 21044 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 34a_100000200190_200025704644 [0,2,0,0,0,0|2,0,0]=4 21045 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,2,0,0,0,0|1,0,1]=4 21046 B13R1.351 CC(CCc1ccccc1)N(C)C 270004a_100102631434_100000210092 [0,2,0,0,0,0|2,0,0]=4 21047 B13R1.351 CC(F)C(=O)CCc1ccccc1 1458a_100000062450_100000765856 [0,2,0,0,0,0|1,0,1]=4 21048 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,2,0,0,0,0|1,0,1]=4 21049 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,2,0,0,0,0|1,0,1]=4 21050 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,2,0,0,0,0|1,0,1]=4 21051 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,2,0,0,0,0|1,0,1]=4 21052 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,2,0,0,0,0|1,0,1]=4 21053 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,2,0,0,0,0|1,0,1]=4 21054 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,2,0,0,0,0|1,0,1]=4 21055 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,2,0,0,0,0|1,0,1]=4 21056 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,2,0,0,0,0|1,0,1]=4 21057 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,2,0,0,0,0|1,0,1]=4 21058 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,2,0,0,0,0|1,0,1]=4 21059 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,2,0,0,0,0|1,0,1]=4 21060 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,2,0,0,0,0|1,0,1]=4 21061 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,2,0,0,0,0|1,0,1]=4 21062 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,2,0,0,0,0|1,0,1]=4 21063 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,2,0,0,0,0|1,0,1]=4 21064 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,2,0,0,0,0|1,0,1]=4 21065 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,2,0,0,0,0|1,0,1]=4 21066 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,2,0,0,0,0|1,0,1]=4 21067 B13R1.351 O=C(CCc1ccccc1)C(O)O 1458a_100000233687_100000765856 [0,2,0,0,0,0|1,0,1]=4 21068 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,2,0,0,0,0|1,0,1]=4 21069 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,2,0,0,0,0|2,0,0]=4 21070 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,2,0,0,0,0|2,0,0]=4 21071 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,2,0,0,0,0|2,0,0]=4 21072 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,2,0,0,0,0|2,0,0]=4 21073 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [0,2,0,0,0,0|2,0,0]=4 21074 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [0,2,0,0,0,0|2,0,0]=4 21075 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [0,2,0,0,0,0|2,0,0]=4 21076 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,2,0,0,0,0|2,0,0]=4 21077 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,2,0,0,0,0|2,0,0]=4 21078 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,2,0,0,0,0|2,0,0]=4 21079 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,2,0,0,0,0|2,0,0]=4 21080 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,2,0,0,0,0|2,0,0]=4 21081 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,2,0,0,0,0|2,0,0]=4 21082 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,2,0,0,0,0|2,0,0]=4 21083 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,2,0,0,0,0|2,0,0]=4 21084 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,2,0,0,0,0|2,0,0]=4 21085 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,2,0,0,0,0|2,0,0]=4 21086 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,2,0,0,0,0|2,0,0]=4 21087 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,2,0,0,0,0|2,0,0]=4 21088 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,2,0,0,0,0|2,0,0]=4 21089 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,2,0,0,0,0|1,0,0]=3 21090 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000724800_100000765856 [0,2,0,0,0,0|2,0,0]=4 21091 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000741020_100000210202 [0,2,0,0,0,0|2,0,0]=4 21092 B13R1.417 CCN(CC)CCc1ccccc1 269956a_100000042499_100000765856 [0,2,0,0,0,0|2,0,0]=4 21093 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000724800_100000765856 [0,2,0,0,0,0|2,0,0]=4 21094 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000741020_100000204670 [0,2,0,0,0,0|2,0,0]=4 21095 B13R1.417 CCN(CF)CCc1ccccc1 269982a_100000741020_100015361967 [0,2,0,0,0,0|2,0,0]=4 21096 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,2,0,0,0,0|2,0,0]=4 21097 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,2,0,0,0,0|2,0,0]=4 21098 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,2,0,0,0,0|2,0,0]=4 21099 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,2,0,0,0,0|1,0,0]=3 21100 B13R1.417 ClCC(CCl)OCc1ccccc1 7a_100000737055_100000211182 [0,2,0,0,0,0|2,0,0]=4 21101 B13R1.417 FCC(CF)OCc1ccccc1 34a_100000032261_100015291786 [0,2,0,0,0,0|2,0,0]=4 21102 B13R1.417 FCC(CF)OCc1ccccc1 7a_100000032261_100000211182 [0,2,0,0,0,0|2,0,0]=4 21103 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 34a_100015614560_100015291786 [0,2,0,0,0,0|2,0,0]=4 21104 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 7a_100015614560_100000211182 [0,2,0,0,0,0|2,0,0]=4 21105 B13R1.417 NCC(CN)OCc1ccccc1 34a_100000031598_100015291786 [0,2,0,0,0,0|1,0,0]=3 21106 B13R1.417 NCC(CN)OCc1ccccn1 34a_100000031598_100000721315 [0,2,0,0,0,0|2,0,0]=4 21107 B13R1.417 NCC(CN)OCc1cccnc1 34a_100000031598_100000733263 [0,2,0,0,0,0|2,0,0]=4 21108 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [0,2,0,0,0,0|2,0,0]=4 21109 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [0,2,0,0,0,0|2,0,0]=4 21110 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,2,0,0,0,0|1,0,0]=3 21111 B13R1.528 CC(CF)OCc1ccccc1Br 34a_100016041109_100000184730 [0,2,0,0,0,0|2,0,0]=4 21112 B13R1.528 CC(CF)OCc1ccccc1Br 7a_100016041109_100000184730 [0,2,0,0,0,0|2,0,0]=4 21113 B13R1.528 CC(CF)OCc1ccccc1Cl 34a_100016041109_100000187162 [0,2,0,0,0,0|2,0,0]=4 21114 B13R1.528 CC(CF)OCc1ccccc1Cl 7a_100016041109_100000187162 [0,2,0,0,0,0|2,0,0]=4 21115 B13R1.528 CC(CF)OCc1ccccc1F 34a_100016041109_100000211605 [0,2,0,0,0,0|2,0,0]=4 21116 B13R1.528 CC(CF)OCc1ccccc1F 7a_100016041109_100000211605 [0,2,0,0,0,0|2,0,0]=4 21117 B13R1.528 CC(CF)OCc1ccccc1I 34a_100016041109_100011215278 [0,2,0,0,0,0|2,0,0]=4 21118 B13R1.528 CC(CF)OCc1ccccc1I 7a_100016041109_100011215278 [0,2,0,0,0,0|2,0,0]=4 21119 B13R1.528 CC(CN)OCc1ccccc1Br 34a_100000210904_100000184730 [0,2,0,0,0,0|1,0,0]=3 21120 B13R1.528 CC(CN)OCc1ccccc1Cl 34a_100000210904_100000187162 [0,2,0,0,0,0|1,0,0]=3 21121 B13R1.528 CC(CN)OCc1ccccc1F 34a_100000210904_100000211605 [0,2,0,0,0,0|1,0,0]=3 21122 B13R1.528 CC(CN)OCc1ccccc1I 34a_100000210904_100011215278 [0,2,0,0,0,0|1,0,0]=3 21123 B13R1.528 CC(CN)OCc1cccnc1Br 34a_100000210904_100010140945 [0,2,0,0,0,0|2,0,0]=4 21124 B13R1.528 CC(CN)OCc1cccnc1Cl 34a_100000210904_100000045678 [0,2,0,0,0,0|2,0,0]=4 21125 B13R1.528 CC(CN)OCc1cccnc1F 34a_100000210904_100000099810 [0,2,0,0,0,0|2,0,0]=4 21126 B13R1.528 CC(CN)OCc1ncccc1Br 34a_100000210904_100025702911 [0,2,0,0,0,0|2,0,0]=4 21127 B13R1.528 CC(CN)OCc1ncccc1F 34a_100000210904_100000104219 [0,2,0,0,0,0|2,0,0]=4 21128 B13R1.528 CC(CN)OCc1ncccc1O 34a_100000210904_200020655725 [0,2,0,0,0,0|2,0,0]=4 21129 B13R1.528 CC(CO)NCc1ccccc1Br 2230a_100000689332_100012180447 [0,2,0,0,0,0|2,0,0]=4 21130 B13R1.528 CC(CO)NCc1ccccc1Br 34a_100000689332_100012180447 [0,2,0,0,0,0|2,0,0]=4 21131 B13R1.528 CC(CO)NCc1ccccc1Cl 2230a_100000174879_100012180447 [0,2,0,0,0,0|2,0,0]=4 21132 B13R1.528 CC(CO)NCc1ccccc1Cl 34a_100000174879_100012180447 [0,2,0,0,0,0|2,0,0]=4 21133 B13R1.528 CC(CO)NCc1ccccc1F 34a_100000174869_100012180447 [0,2,0,0,0,0|2,0,0]=4 21134 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [0,2,0,0,0,0|2,0,0]=4 21135 B13R1.528 CC(CO)OCc1ccccc1Br 34a_100000756307_100012180447 [0,2,0,0,0,0|2,0,0]=4 21136 B13R1.528 CC(CO)OCc1ccccc1Br 7a_100000756307_100012180447 [0,2,0,0,0,0|2,0,0]=4 21137 B13R1.528 CC(CO)OCc1ccccc1Cl 34a_100000210847_100012180447 [0,2,0,0,0,0|2,0,0]=4 21138 B13R1.528 CC(CO)OCc1ccccc1Cl 7a_100000210847_100012180447 [0,2,0,0,0,0|2,0,0]=4 21139 B13R1.528 CC(CO)OCc1ccccc1F 34a_100000211962_100012180447 [0,2,0,0,0,0|2,0,0]=4 21140 B13R1.528 CC(CO)OCc1ccccc1F 7a_100000211962_100012180447 [0,2,0,0,0,0|2,0,0]=4 21141 B13R1.528 CC(CO)OCc1ccccc1I 34a_100000187465_100012180447 [0,2,0,0,0,0|2,0,0]=4 21142 B13R1.528 CC(CO)OCc1ccccc1I 7a_100000187465_100012180447 [0,2,0,0,0,0|2,0,0]=4 21143 B13R1.528 CC(CO)OCc1ccccc1N 34a_100000212039_100012180447 [0,2,0,0,0,0|2,0,0]=4 21144 B13R1.528 CC(CO)SCc1ccccc1Br 62a_100012180447_100000184730 [0,2,0,0,0,0|2,0,0]=4 21145 B13R1.528 CC(CO)SCc1ccccc1Cl 62a_100012180447_100000187162 [0,2,0,0,0,0|2,0,0]=4 21146 B13R1.528 CC(CO)SCc1ccccc1F 62a_100012180447_100000211605 [0,2,0,0,0,0|2,0,0]=4 21147 B13R1.528 CC(CO)SCc1ccccc1I 62a_100012180447_100011216222 [0,2,0,0,0,0|2,0,0]=4 21148 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,2,0,0,0,0|1,0,1]=4 21149 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,2,0,0,0,0|1,0,1]=4 21150 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,2,0,0,0,0|1,0,1]=4 21151 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,2,0,0,0,0|1,0,1]=4 21152 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,2,0,0,0,0|1,0,1]=4 21153 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,2,0,0,0,0|1,0,1]=4 21154 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,2,0,0,0,0|1,0,1]=4 21155 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,2,0,0,0,0|1,0,1]=4 21156 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,2,0,0,0,0|1,0,1]=4 21157 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,2,0,0,0,0|1,0,1]=4 21158 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,2,0,0,0,0|1,0,1]=4 21159 B13R1.528 CCC(C)CNc1ccccc1Br 34a_100000210017_100000748023 [0,2,0,0,0,0|2,0,0]=4 21160 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,2,0,0,0,0|2,0,0]=4 21161 B13R1.528 CCC(C)CNc1ccccc1Cl 34a_100000185783_100000748023 [0,2,0,0,0,0|2,0,0]=4 21162 B13R1.528 CCC(C)CNc1ccccc1F 34a_100000210422_100000748023 [0,2,0,0,0,0|2,0,0]=4 21163 B13R1.528 CCC(C)CNc1ccccc1I 34a_100000210053_100000748023 [0,2,0,0,0,0|2,0,0]=4 21164 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 21165 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [0,2,0,0,0,0|2,0,0]=4 21166 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [0,2,0,0,0,0|2,0,0]=4 21167 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 21168 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 21169 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [0,2,0,0,0,0|2,0,0]=4 21170 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [0,2,0,0,0,0|2,0,0]=4 21171 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [0,2,0,0,0,0|2,0,0]=4 21172 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [0,2,0,0,0,0|2,0,0]=4 21173 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 21174 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 21175 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 21176 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 21177 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000695589_100000748023 [0,2,0,0,0,0|2,0,0]=4 21178 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000748023_100000695589 [0,2,0,0,0,0|2,0,0]=4 21179 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,2,0,0,0,0|2,0,0]=4 21180 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,2,0,0,0,0|2,0,0]=4 21181 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000748023_100000764095 [0,2,0,0,0,0|2,0,0]=4 21182 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000764095_100000748023 [0,2,0,0,0,0|2,0,0]=4 21183 B13R1.528 CCC(C)CSc1ccccc1F 62a_100000748023_100011215700 [0,2,0,0,0,0|2,0,0]=4 21184 B13R1.528 CCC(C)CSc1ccccc1F 62a_100011215700_100000748023 [0,2,0,0,0,0|2,0,0]=4 21185 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000210017_100000748023 [0,2,0,0,0,0|2,0,0]=4 21186 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000748023_100000210017 [0,2,0,0,0,0|2,0,0]=4 21187 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 21188 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [0,2,0,0,0,0|2,0,0]=4 21189 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,2,0,0,0,0|2,0,0]=4 21190 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,2,0,0,0,0|2,0,0]=4 21191 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,2,0,0,0,0|2,0,0]=4 21192 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,2,0,0,0,0|2,0,0]=4 21193 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,2,0,0,0,0|2,0,0]=4 21194 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 21195 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,2,0,0,0,0|2,0,0]=4 21196 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 21197 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,2,0,0,0,0|2,0,0]=4 21198 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,2,0,0,0,0|2,0,0]=4 21199 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,2,0,0,0,0|2,0,0]=4 21200 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,2,0,0,0,0|2,0,0]=4 21201 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,2,0,0,0,0|2,0,0]=4 21202 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,2,0,0,0,0|2,0,0]=4 21203 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,2,0,0,0,0|2,0,0]=4 21204 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,2,0,0,0,0|2,0,0]=4 21205 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,2,0,0,0,0|2,0,0]=4 21206 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,2,0,0,0,0|2,0,0]=4 21207 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,2,0,0,0,0|2,0,0]=4 21208 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,2,0,0,0,0|2,0,0]=4 21209 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,2,0,0,0,0|2,0,0]=4 21210 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,2,0,0,0,0|2,0,0]=4 21211 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,2,0,0,0,0|2,0,0]=4 21212 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,2,0,0,0,0|2,0,0]=4 21213 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,2,0,0,0,0|2,0,0]=4 21214 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,2,0,0,0,0|2,0,0]=4 21215 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,2,0,0,0,0|2,0,0]=4 21216 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,2,0,0,0,0|2,0,0]=4 21217 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,2,0,0,0,0|2,0,0]=4 21218 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,2,0,0,0,0|2,0,0]=4 21219 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,2,0,0,0,0|2,0,0]=4 21220 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,2,0,0,0,0|2,0,0]=4 21221 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,2,0,0,0,0|2,0,0]=4 21222 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,2,0,0,0,0|2,0,0]=4 21223 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,2,0,0,0,0|2,0,0]=4 21224 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,2,0,0,0,0|2,0,0]=4 21225 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,2,0,0,0,0|2,0,0]=4 21226 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,2,0,0,0,0|2,0,0]=4 21227 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,2,0,0,0,0|2,0,0]=4 21228 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,2,0,0,0,0|2,0,0]=4 21229 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,2,0,0,0,0|2,0,0]=4 21230 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,2,0,0,0,0|2,0,0]=4 21231 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,2,0,0,0,0|2,0,0]=4 21232 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,2,0,0,0,0|2,0,0]=4 21233 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,2,0,0,0,0|2,0,0]=4 21234 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,2,0,0,0,0|2,0,0]=4 21235 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,2,0,0,0,0|2,0,0]=4 21236 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,2,0,0,0,0|2,0,0]=4 21237 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,2,0,0,0,0|2,0,0]=4 21238 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [0,2,0,0,0,0|2,0,0]=4 21239 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [0,2,0,0,0,0|2,0,0]=4 21240 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [0,2,0,0,0,0|2,0,0]=4 21241 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [0,2,0,0,0,0|2,0,0]=4 21242 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [0,2,0,0,0,0|2,0,0]=4 21243 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 21244 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [0,2,0,0,0,0|2,0,0]=4 21245 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [0,2,0,0,0,0|2,0,0]=4 21246 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [0,2,0,0,0,0|2,0,0]=4 21247 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [0,2,0,0,0,0|2,0,0]=4 21248 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [0,2,0,0,0,0|2,0,0]=4 21249 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [0,2,0,0,0,0|2,0,0]=4 21250 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [0,2,0,0,0,0|2,0,0]=4 21251 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [0,2,0,0,0,0|2,0,0]=4 21252 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [0,2,0,0,0,0|2,0,0]=4 21253 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [0,2,0,0,0,0|2,0,0]=4 21254 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 21255 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 21256 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [0,2,0,0,0,0|2,0,0]=4 21257 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [0,2,0,0,0,0|2,0,0]=4 21258 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [0,2,0,0,0,0|2,0,0]=4 21259 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [0,2,0,0,0,0|2,0,0]=4 21260 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [0,2,0,0,0,0|2,0,0]=4 21261 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [0,2,0,0,0,0|2,0,0]=4 21262 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [0,2,0,0,0,0|2,0,0]=4 21263 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [0,2,0,0,0,0|2,0,0]=4 21264 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [0,2,0,0,0,0|2,0,0]=4 21265 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [0,2,0,0,0,0|2,0,0]=4 21266 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [0,2,0,0,0,0|2,0,0]=4 21267 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [0,2,0,0,0,0|2,0,0]=4 21268 B13R1.528 CCN(C)CCc1ccccc1Br 2230a_100000225621_100012161201 [0,2,0,0,0,0|2,0,0]=4 21269 B13R1.528 CCN(C)CCc1ccccc1Br 269982a_100000225621_100012161201 [0,2,0,0,0,0|2,0,0]=4 21270 B13R1.528 CCN(C)CCc1ccccc1C 2230a_100000225621_100011713688 [0,2,0,0,0,0|2,0,0]=4 21271 B13R1.528 CCN(C)CCc1ccccc1C 269982a_100000225621_100011713688 [0,2,0,0,0,0|2,0,0]=4 21272 B13R1.528 CCN(C)CCc1ccccc1Cl 2230a_100000225621_100011713703 [0,2,0,0,0,0|2,0,0]=4 21273 B13R1.528 CCN(C)CCc1ccccc1Cl 269982a_100000225621_100011713703 [0,2,0,0,0,0|2,0,0]=4 21274 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000225621_100011713696 [0,2,0,0,0,0|2,0,0]=4 21275 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000232559_100000210202 [0,2,0,0,0,0|2,0,0]=4 21276 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000225621_100011713696 [0,2,0,0,0,0|2,0,0]=4 21277 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000232559_100000204670 [0,2,0,0,0,0|2,0,0]=4 21278 B13R1.528 CCN(C)CCc1ccccc1F 34a_100000232559_100000210202 [0,2,0,0,0,0|2,0,0]=4 21279 B13R1.528 CCN(C)CCc1ccccc1O 269982a_100000225621_100000722297 [0,2,0,0,0,0|2,0,0]=4 21280 B13R1.528 CC[C@H](C)CNc1ccccc1Br 34a_100000210017_100009816398 [0,2,0,0,0,0|2,0,0]=4 21281 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,2,0,0,0,0|2,0,0]=4 21282 B13R1.528 CC[C@H](C)CNc1ccccc1Cl 34a_100000185783_100009816398 [0,2,0,0,0,0|2,0,0]=4 21283 B13R1.528 CC[C@H](C)CNc1ccccc1F 34a_100000210422_100009816398 [0,2,0,0,0,0|2,0,0]=4 21284 B13R1.528 CC[C@H](C)CNc1ccccc1I 34a_100000210053_100009816398 [0,2,0,0,0,0|2,0,0]=4 21285 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 21286 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [0,2,0,0,0,0|2,0,0]=4 21287 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [0,2,0,0,0,0|2,0,0]=4 21288 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 21289 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 21290 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [0,2,0,0,0,0|2,0,0]=4 21291 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [0,2,0,0,0,0|2,0,0]=4 21292 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [0,2,0,0,0,0|2,0,0]=4 21293 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [0,2,0,0,0,0|2,0,0]=4 21294 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 21295 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 21296 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 21297 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 21298 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100000695589_100009816398 [0,2,0,0,0,0|2,0,0]=4 21299 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100009816398_100000695589 [0,2,0,0,0,0|2,0,0]=4 21300 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,2,0,0,0,0|2,0,0]=4 21301 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,2,0,0,0,0|2,0,0]=4 21302 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100000764095_100009816398 [0,2,0,0,0,0|2,0,0]=4 21303 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100009816398_100000764095 [0,2,0,0,0,0|2,0,0]=4 21304 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100009816398_100011215700 [0,2,0,0,0,0|2,0,0]=4 21305 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100011215700_100009816398 [0,2,0,0,0,0|2,0,0]=4 21306 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100000210017_100009816398 [0,2,0,0,0,0|2,0,0]=4 21307 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100009816398_100000210017 [0,2,0,0,0,0|2,0,0]=4 21308 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 21309 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [0,2,0,0,0,0|2,0,0]=4 21310 B13R1.528 CN(CF)CCc1ccccc1F 269982a_100000232559_100015361967 [0,2,0,0,0,0|2,0,0]=4 21311 B13R1.528 CN(CF)CCc1ccccc1F 34a_100000232559_100015361967 [0,2,0,0,0,0|2,0,0]=4 21312 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [0,2,0,0,0,0|2,0,0]=4 21313 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [0,2,0,0,0,0|2,0,0]=4 21314 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [0,2,0,0,0,0|2,0,0]=4 21315 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [0,2,0,0,0,0|2,0,0]=4 21316 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [0,2,0,0,0,0|2,0,0]=4 21317 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [0,2,0,0,0,0|2,0,0]=4 21318 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [0,2,0,0,0,0|2,0,0]=4 21319 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,2,0,0,0,0|2,0,0]=4 21320 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,2,0,0,0,0|2,0,0]=4 21321 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [0,2,0,0,0,0|2,0,0]=4 21322 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [0,2,0,0,0,0|2,0,0]=4 21323 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [0,2,0,0,0,0|2,0,0]=4 21324 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [0,2,0,0,0,0|2,0,0]=4 21325 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [0,2,0,0,0,0|2,0,0]=4 21326 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [0,2,0,0,0,0|2,0,0]=4 21327 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [0,2,0,0,0,0|2,0,0]=4 21328 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [0,2,0,0,0,0|2,0,0]=4 21329 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [0,2,0,0,0,0|2,0,0]=4 21330 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [0,2,0,0,0,0|2,0,0]=4 21331 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [0,2,0,0,0,0|2,0,0]=4 21332 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [0,2,0,0,0,0|2,0,0]=4 21333 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [0,2,0,0,0,0|2,0,0]=4 21334 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [0,2,0,0,0,0|2,0,0]=4 21335 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [0,2,0,0,0,0|2,0,0]=4 21336 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [0,2,0,0,0,0|2,0,0]=4 21337 B13R1.528 C[C@H](CF)NCc1ccccc1Br 207a_100102880703_100000211189 [0,2,0,0,0,0|2,0,0]=4 21338 B13R1.528 C[C@H](CF)NCc1ccccc1Br 270004a_100102880703_100000211189 [0,2,0,0,0,0|2,0,0]=4 21339 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 207a_100102880703_100000210073 [0,2,0,0,0,0|2,0,0]=4 21340 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 270004a_100102880703_100000210073 [0,2,0,0,0,0|2,0,0]=4 21341 B13R1.528 C[C@H](CF)NCc1ccccc1F 207a_100102880703_100000210811 [0,2,0,0,0,0|2,0,0]=4 21342 B13R1.528 C[C@H](CF)NCc1ccccc1F 270004a_100102880703_100000210811 [0,2,0,0,0,0|2,0,0]=4 21343 B13R1.528 C[C@H](CF)NCc1ccccc1I 207a_100102880703_100000010305 [0,2,0,0,0,0|2,0,0]=4 21344 B13R1.528 C[C@H](CF)NCc1ccccc1I 270004a_100102880703_100000010305 [0,2,0,0,0,0|2,0,0]=4 21345 B13R1.528 C[C@H](CO)NCc1ccccc1Br 207a_100000737577_100000211189 [0,2,0,0,0,0|2,0,0]=4 21346 B13R1.528 C[C@H](CO)NCc1ccccc1Br 2230a_100000737577_100000184730 [0,2,0,0,0,0|2,0,0]=4 21347 B13R1.528 C[C@H](CO)NCc1ccccc1Br 270004a_100000737577_100000211189 [0,2,0,0,0,0|2,0,0]=4 21348 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 207a_100000737577_100000210073 [0,2,0,0,0,0|2,0,0]=4 21349 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 2230a_100000737577_100000187162 [0,2,0,0,0,0|2,0,0]=4 21350 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 270004a_100000737577_100000210073 [0,2,0,0,0,0|2,0,0]=4 21351 B13R1.528 C[C@H](CO)NCc1ccccc1F 207a_100000737577_100000210811 [0,2,0,0,0,0|2,0,0]=4 21352 B13R1.528 C[C@H](CO)NCc1ccccc1F 2230a_100000737577_100000211605 [0,2,0,0,0,0|2,0,0]=4 21353 B13R1.528 C[C@H](CO)NCc1ccccc1F 270004a_100000737577_100000210811 [0,2,0,0,0,0|2,0,0]=4 21354 B13R1.528 C[C@H](CO)NCc1ccccc1I 207a_100000737577_100000010305 [0,2,0,0,0,0|2,0,0]=4 21355 B13R1.528 C[C@H](CO)NCc1ccccc1I 2230a_100000737577_100011215278 [0,2,0,0,0,0|2,0,0]=4 21356 B13R1.528 C[C@H](CO)NCc1ccccc1I 270004a_100000737577_100000010305 [0,2,0,0,0,0|2,0,0]=4 21357 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100000184730_100016084084 [0,2,0,0,0,0|2,0,0]=4 21358 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100016084084_100000184730 [0,2,0,0,0,0|2,0,0]=4 21359 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100000187162_100016084084 [0,2,0,0,0,0|2,0,0]=4 21360 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100016084084_100000187162 [0,2,0,0,0,0|2,0,0]=4 21361 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100000211605_100016084084 [0,2,0,0,0,0|2,0,0]=4 21362 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100016084084_100000211605 [0,2,0,0,0,0|2,0,0]=4 21363 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100011216222_100016084084 [0,2,0,0,0,0|2,0,0]=4 21364 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100016084084_100011216222 [0,2,0,0,0,0|2,0,0]=4 21365 B13R1.528 Cc1ccccc1CCC(=O)CF 1458a_100000748742_100015361967 [0,2,0,0,0,0|1,0,1]=4 21366 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,2,0,0,0,0|1,0,1]=4 21367 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [0,2,0,0,0,0|2,0,0]=4 21368 B13R1.528 Cc1ccccc1CN[C@H](C)CF 207a_100102880703_100000211143 [0,2,0,0,0,0|2,0,0]=4 21369 B13R1.528 Cc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000211143 [0,2,0,0,0,0|2,0,0]=4 21370 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [0,2,0,0,0,0|2,0,0]=4 21371 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [0,2,0,0,0,0|2,0,0]=4 21372 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [0,2,0,0,0,0|2,0,0]=4 21373 B13R1.528 Cc1ccccc1COC(C)CF 34a_100016041109_100000211839 [0,2,0,0,0,0|2,0,0]=4 21374 B13R1.528 Cc1ccccc1COC(C)CF 7a_100016041109_100000211839 [0,2,0,0,0,0|2,0,0]=4 21375 B13R1.528 Cc1ccccc1COC(C)CN 34a_100000210904_100000211839 [0,2,0,0,0,0|1,0,0]=3 21376 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [0,2,0,0,0,0|2,0,0]=4 21377 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [0,2,0,0,0,0|2,0,0]=4 21378 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [0,2,0,0,0,0|2,0,0]=4 21379 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [0,2,0,0,0,0|2,0,0]=4 21380 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [0,2,0,0,0,0|2,0,0]=4 21381 B13R1.528 Cc1ccccc1NCC(O)CO 34a_100015192222_100011219619 [0,2,0,0,0,0|2,0,0]=4 21382 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [0,2,0,0,0,0|2,0,0]=4 21383 B13R1.528 Cc1ccccc1NC[C@@H](O)CF 34a_100015192222_100015614560 [0,2,0,0,0,0|2,0,0]=4 21384 B13R1.528 Cc1ccccc1NC[C@@H](O)CO 34a_100015192222_100009815848 [0,2,0,0,0,0|2,0,0]=4 21385 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [0,2,0,0,0,0|2,0,0]=4 21386 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [0,2,0,0,0,0|2,0,0]=4 21387 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,2,0,0,0,0|2,0,0]=4 21388 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,2,0,0,0,0|2,0,0]=4 21389 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 34a_100000210338_100015614560 [0,2,0,0,0,0|2,0,0]=4 21390 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 7a_100000210338_100015614560 [0,2,0,0,0,0|2,0,0]=4 21391 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [0,2,0,0,0,0|2,0,0]=4 21392 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [0,2,0,0,0,0|2,0,0]=4 21393 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100000210755_100011219619 [0,2,0,0,0,0|2,0,0]=4 21394 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100011219619_100000210755 [0,2,0,0,0,0|2,0,0]=4 21395 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [0,2,0,0,0,0|2,0,0]=4 21396 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [0,2,0,0,0,0|2,0,0]=4 21397 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100000210755_100015614560 [0,2,0,0,0,0|2,0,0]=4 21398 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210755 [0,2,0,0,0,0|2,0,0]=4 21399 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100000210755_100009815848 [0,2,0,0,0,0|2,0,0]=4 21400 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210755 [0,2,0,0,0,0|2,0,0]=4 21401 B13R1.528 Cc1cccnc1COC(C)CN 34a_100000210904_100000696600 [0,2,0,0,0,0|2,0,0]=4 21402 B13R1.528 Cc1ccncc1COC(C)CN 34a_100000210904_100000690890 [0,2,0,0,0,0|2,0,0]=4 21403 B13R1.528 Cc1cnccc1COC(C)CN 34a_100000210904_100020672809 [0,2,0,0,0,0|2,0,0]=4 21404 B13R1.528 Cc1ncccc1COC(C)CN 34a_100000210904_100000732876 [0,2,0,0,0,0|2,0,0]=4 21405 B13R1.528 Nc1ccccc1OCC(O)CO 34a_100000185747_100011219619 [0,2,0,0,0,0|2,0,0]=4 21406 B13R1.528 Nc1ccccc1OCC(O)CO 7a_100000185747_100011219619 [0,2,0,0,0,0|2,0,0]=4 21407 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 34a_100000185747_100015614560 [0,2,0,0,0,0|2,0,0]=4 21408 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 7a_100000185747_100015614560 [0,2,0,0,0,0|2,0,0]=4 21409 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 34a_100000185747_100009815848 [0,2,0,0,0,0|2,0,0]=4 21410 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 7a_100000185747_100009815848 [0,2,0,0,0,0|2,0,0]=4 21411 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100000210017_100011219619 [0,2,0,0,0,0|2,0,0]=4 21412 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100011219619_100000210017 [0,2,0,0,0,0|2,0,0]=4 21413 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100000210017_100015614560 [0,2,0,0,0,0|2,0,0]=4 21414 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210017 [0,2,0,0,0,0|2,0,0]=4 21415 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100000210017_100009815848 [0,2,0,0,0,0|2,0,0]=4 21416 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210017 [0,2,0,0,0,0|2,0,0]=4 21417 B13R1.528 O=C(CF)CCc1ccccc1Br 1458a_100000740810_100015361967 [0,2,0,0,0,0|1,0,1]=4 21418 B13R1.528 O=C(CF)CCc1ccccc1Cl 1458a_100000184300_100015361967 [0,2,0,0,0,0|1,0,1]=4 21419 B13R1.528 O=C(CF)CCc1ccccc1F 1458a_100000189703_100015361967 [0,2,0,0,0,0|1,0,1]=4 21420 B13R1.528 O=C(CF)CCc1ccccc1I 1458a_100000037306_100015361967 [0,2,0,0,0,0|1,0,1]=4 21421 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,2,0,0,0,0|1,0,1]=4 21422 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,2,0,0,0,0|1,0,1]=4 21423 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,2,0,0,0,0|1,0,1]=4 21424 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,2,0,0,0,0|1,0,1]=4 21425 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,2,0,0,0,0|1,0,1]=4 21426 B13R1.528 OCC(O)CNc1ccccc1Br 34a_100000210017_100011219619 [0,2,0,0,0,0|2,0,0]=4 21427 B13R1.528 OCC(O)CNc1ccccc1Cl 34a_100000185783_100011219619 [0,2,0,0,0,0|2,0,0]=4 21428 B13R1.528 OCC(O)CNc1ccccc1F 34a_100000210422_100011219619 [0,2,0,0,0,0|2,0,0]=4 21429 B13R1.528 OCC(O)CNc1ccccc1I 34a_100000210053_100011219619 [0,2,0,0,0,0|2,0,0]=4 21430 B13R1.528 OCC(O)CNc1ccccc1O 34a_100000185747_100011219619 [0,2,0,0,0,0|2,0,0]=4 21431 B13R1.528 OCC(O)COc1ccccc1Br 34a_100000181306_100011219619 [0,2,0,0,0,0|2,0,0]=4 21432 B13R1.528 OCC(O)COc1ccccc1Br 7a_100000181306_100011219619 [0,2,0,0,0,0|2,0,0]=4 21433 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [0,2,0,0,0,0|2,0,0]=4 21434 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [0,2,0,0,0,0|2,0,0]=4 21435 B13R1.528 OCC(O)COc1ccccc1F 34a_100000210171_100011219619 [0,2,0,0,0,0|2,0,0]=4 21436 B13R1.528 OCC(O)COc1ccccc1F 7a_100000210171_100011219619 [0,2,0,0,0,0|2,0,0]=4 21437 B13R1.528 OCC(O)COc1ccccc1I 34a_100000739446_100011219619 [0,2,0,0,0,0|2,0,0]=4 21438 B13R1.528 OCC(O)COc1ccccc1I 7a_100000739446_100011219619 [0,2,0,0,0,0|2,0,0]=4 21439 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100000695589_100011219619 [0,2,0,0,0,0|2,0,0]=4 21440 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100011219619_100000695589 [0,2,0,0,0,0|2,0,0]=4 21441 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100000764095_100011219619 [0,2,0,0,0,0|2,0,0]=4 21442 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100011219619_100000764095 [0,2,0,0,0,0|2,0,0]=4 21443 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011215700_100011219619 [0,2,0,0,0,0|2,0,0]=4 21444 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011219619_100011215700 [0,2,0,0,0,0|2,0,0]=4 21445 B13R1.528 OCC(O)CSc1ccccc1O 62a_100000739446_100011219619 [0,2,0,0,0,0|2,0,0]=4 21446 B13R1.528 OCC(O)CSc1ccccc1O 62a_100011219619_100000739446 [0,2,0,0,0,0|2,0,0]=4 21447 B13R1.528 OC[C@H](O)CNc1ccccc1Br 34a_100000210017_100009815848 [0,2,0,0,0,0|2,0,0]=4 21448 B13R1.528 OC[C@H](O)CNc1ccccc1Cl 34a_100000185783_100009815848 [0,2,0,0,0,0|2,0,0]=4 21449 B13R1.528 OC[C@H](O)CNc1ccccc1F 34a_100000210422_100009815848 [0,2,0,0,0,0|2,0,0]=4 21450 B13R1.528 OC[C@H](O)CNc1ccccc1I 34a_100000210053_100009815848 [0,2,0,0,0,0|2,0,0]=4 21451 B13R1.528 OC[C@H](O)CNc1ccccc1O 34a_100000185747_100009815848 [0,2,0,0,0,0|2,0,0]=4 21452 B13R1.528 OC[C@H](O)COc1ccccc1Br 34a_100000181306_100009815848 [0,2,0,0,0,0|2,0,0]=4 21453 B13R1.528 OC[C@H](O)COc1ccccc1Br 7a_100000181306_100009815848 [0,2,0,0,0,0|2,0,0]=4 21454 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [0,2,0,0,0,0|2,0,0]=4 21455 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [0,2,0,0,0,0|2,0,0]=4 21456 B13R1.528 OC[C@H](O)COc1ccccc1F 34a_100000210171_100009815848 [0,2,0,0,0,0|2,0,0]=4 21457 B13R1.528 OC[C@H](O)COc1ccccc1F 7a_100000210171_100009815848 [0,2,0,0,0,0|2,0,0]=4 21458 B13R1.528 OC[C@H](O)COc1ccccc1I 34a_100000739446_100009815848 [0,2,0,0,0,0|2,0,0]=4 21459 B13R1.528 OC[C@H](O)COc1ccccc1I 7a_100000739446_100009815848 [0,2,0,0,0,0|2,0,0]=4 21460 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100000695589_100009815848 [0,2,0,0,0,0|2,0,0]=4 21461 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100009815848_100000695589 [0,2,0,0,0,0|2,0,0]=4 21462 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100000764095_100009815848 [0,2,0,0,0,0|2,0,0]=4 21463 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100009815848_100000764095 [0,2,0,0,0,0|2,0,0]=4 21464 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100009815848_100011215700 [0,2,0,0,0,0|2,0,0]=4 21465 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100011215700_100009815848 [0,2,0,0,0,0|2,0,0]=4 21466 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100000739446_100009815848 [0,2,0,0,0,0|2,0,0]=4 21467 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100009815848_100000739446 [0,2,0,0,0,0|2,0,0]=4 21468 B13R1.528 O[C@@H](CF)CNc1ccccc1Br 34a_100000210017_100015614560 [0,2,0,0,0,0|2,0,0]=4 21469 B13R1.528 O[C@@H](CF)CNc1ccccc1Cl 34a_100000185783_100015614560 [0,2,0,0,0,0|2,0,0]=4 21470 B13R1.528 O[C@@H](CF)CNc1ccccc1F 34a_100000210422_100015614560 [0,2,0,0,0,0|2,0,0]=4 21471 B13R1.528 O[C@@H](CF)CNc1ccccc1I 34a_100000210053_100015614560 [0,2,0,0,0,0|2,0,0]=4 21472 B13R1.528 O[C@@H](CF)COc1ccccc1Br 34a_100000181306_100015614560 [0,2,0,0,0,0|2,0,0]=4 21473 B13R1.528 O[C@@H](CF)COc1ccccc1Br 7a_100000181306_100015614560 [0,2,0,0,0,0|2,0,0]=4 21474 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 34a_100000210172_100015614560 [0,2,0,0,0,0|2,0,0]=4 21475 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 7a_100000210172_100015614560 [0,2,0,0,0,0|2,0,0]=4 21476 B13R1.528 O[C@@H](CF)COc1ccccc1F 34a_100000210171_100015614560 [0,2,0,0,0,0|2,0,0]=4 21477 B13R1.528 O[C@@H](CF)COc1ccccc1F 7a_100000210171_100015614560 [0,2,0,0,0,0|2,0,0]=4 21478 B13R1.528 O[C@@H](CF)COc1ccccc1I 34a_100000739446_100015614560 [0,2,0,0,0,0|2,0,0]=4 21479 B13R1.528 O[C@@H](CF)COc1ccccc1I 7a_100000739446_100015614560 [0,2,0,0,0,0|2,0,0]=4 21480 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100000695589_100015614560 [0,2,0,0,0,0|2,0,0]=4 21481 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100015614560_100000695589 [0,2,0,0,0,0|2,0,0]=4 21482 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100000764095_100015614560 [0,2,0,0,0,0|2,0,0]=4 21483 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100015614560_100000764095 [0,2,0,0,0,0|2,0,0]=4 21484 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100011215700_100015614560 [0,2,0,0,0,0|2,0,0]=4 21485 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100015614560_100011215700 [0,2,0,0,0,0|2,0,0]=4 21486 B13R1.528 Oc1ccccc1NC[C@@H](O)CF 34a_100000185747_100015614560 [0,2,0,0,0,0|2,0,0]=4 21487 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100000739446_100015614560 [0,2,0,0,0,0|2,0,0]=4 21488 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000739446 [0,2,0,0,0,0|2,0,0]=4 21489 B13R1.16 BrCCOCc1cccc(c1Br)I 34a_100000211926_100010254545 [0,2,0,0,0,0|2,0,0]=4 21490 B13R1.16 CCCCNc1cccc(c1Br)C 34a_100000684715_100000210210 [0,2,0,0,0,0|2,0,0]=4 21491 B13R1.16 CCCCNc1cccc(c1Br)Cl 34a_100000687072_100000210210 [0,2,0,0,0,0|2,0,0]=4 21492 B13R1.16 CCCCNc1cccc(c1Br)F 34a_100011934729_100000210210 [0,2,0,0,0,0|2,0,0]=4 21493 B13R1.16 CCCCNc1cccc(c1Br)O 34a_100012183704_100000210210 [0,2,0,0,0,0|2,0,0]=4 21494 B13R1.16 CCCCNc1cccc(c1Br)O 7a_100012183704_100000210211 [0,2,0,0,0,0|2,0,0]=4 21495 B13R1.16 CCCCNc1cccc(c1C)Br 34a_100000750434_100000210210 [0,2,0,0,0,0|2,0,0]=4 21496 B13R1.16 CCCCNc1cccc(c1C)C 2230a_100000210026_100000210211 [0,2,0,0,0,0|2,0,0]=4 21497 B13R1.16 CCCCNc1cccc(c1C)C 34a_100000210026_100000210210 [0,2,0,0,0,0|2,0,0]=4 21498 B13R1.16 CCCCNc1cccc(c1C)C 7a_100000210026_100000210211 [0,2,0,0,0,0|2,0,0]=4 21499 B13R1.16 CCCCNc1cccc(c1C)Cl 2230a_100000210441_100000210211 [0,2,0,0,0,0|2,0,0]=4 21500 B13R1.16 CCCCNc1cccc(c1C)Cl 34a_100000210441_100000210210 [0,2,0,0,0,0|2,0,0]=4 21501 B13R1.16 CCCCNc1cccc(c1C)Cl 7a_100000210441_100000210211 [0,2,0,0,0,0|2,0,0]=4 21502 B13R1.16 CCCCNc1cccc(c1C)F 34a_100000745574_100000210210 [0,2,0,0,0,0|2,0,0]=4 21503 B13R1.16 CCCCNc1cccc(c1C)F 7a_100000745574_100000210211 [0,2,0,0,0,0|2,0,0]=4 21504 B13R1.16 CCCCNc1cccc(c1C)I 34a_100000761887_100000210210 [0,2,0,0,0,0|2,0,0]=4 21505 B13R1.16 CCCCNc1cccc(c1C)O 34a_100011216573_100000210210 [0,2,0,0,0,0|2,0,0]=4 21506 B13R1.16 CCCCNc1cccc(c1C)O 7a_100011216573_100000210211 [0,2,0,0,0,0|2,0,0]=4 21507 B13R1.16 CCCCNc1cccc(c1Cl)Br 34a_100000687075_100000210210 [0,2,0,0,0,0|2,0,0]=4 21508 B13R1.16 CCCCNc1cccc(c1Cl)C 34a_100000765562_100000210210 [0,2,0,0,0,0|2,0,0]=4 21509 B13R1.16 CCCCNc1cccc(c1Cl)C 7a_100000765562_100000210211 [0,2,0,0,0,0|2,0,0]=4 21510 B13R1.16 CCCCNc1cccc(c1Cl)Cl 34a_100000185733_100000210210 [0,2,0,0,0,0|2,0,0]=4 21511 B13R1.16 CCCCNc1cccc(c1Cl)F 34a_100000692321_100000210210 [0,2,0,0,0,0|2,0,0]=4 21512 B13R1.16 CCCCNc1cccc(c1Cl)O 34a_100012002038_100000210210 [0,2,0,0,0,0|2,0,0]=4 21513 B13R1.16 CCCCNc1cccc(c1Cl)O 7a_100012002038_100000210211 [0,2,0,0,0,0|2,0,0]=4 21514 B13R1.16 CCCCNc1cccc(c1F)Br 2230a_100011935091_100000210211 [0,2,0,0,0,0|2,0,0]=4 21515 B13R1.16 CCCCNc1cccc(c1F)Br 34a_100011935091_100000210210 [0,2,0,0,0,0|2,0,0]=4 21516 B13R1.16 CCCCNc1cccc(c1F)C 2230a_100000697159_100000210211 [0,2,0,0,0,0|2,0,0]=4 21517 B13R1.16 CCCCNc1cccc(c1F)C 34a_100000697159_100000210210 [0,2,0,0,0,0|2,0,0]=4 21518 B13R1.16 CCCCNc1cccc(c1F)C 7a_100000697159_100000210211 [0,2,0,0,0,0|2,0,0]=4 21519 B13R1.16 CCCCNc1cccc(c1F)Cl 2230a_100000199060_100000210211 [0,2,0,0,0,0|2,0,0]=4 21520 B13R1.16 CCCCNc1cccc(c1F)Cl 34a_100000199060_100000210210 [0,2,0,0,0,0|2,0,0]=4 21521 B13R1.16 CCCCNc1cccc(c1F)F 34a_100000743855_100000210210 [0,2,0,0,0,0|2,0,0]=4 21522 B13R1.16 CCCCNc1cccc(c1I)Br 34a_100020590159_100000210210 [0,2,0,0,0,0|2,0,0]=4 21523 B13R1.16 CCCCNc1cccc(c1I)C 34a_100000761888_100000210210 [0,2,0,0,0,0|2,0,0]=4 21524 B13R1.16 CCCCNc1cccc(c1I)Cl 34a_100000049713_100000210210 [0,2,0,0,0,0|2,0,0]=4 21525 B13R1.16 CCCCNc1cccc(c1I)F 34a_100000690935_100000210210 [0,2,0,0,0,0|2,0,0]=4 21526 B13R1.16 CCCCNc1cccc(c1O)Br 34a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 21527 B13R1.16 CCCCNc1cccc(c1O)C 34a_100000756359_100000210210 [0,2,0,0,0,0|2,0,0]=4 21528 B13R1.16 CCCCNc1cccc(c1O)Cl 34a_100000754742_100000210210 [0,2,0,0,0,0|2,0,0]=4 21529 B13R1.16 CCCCNc1cccc(c1O)F 34a_100011934987_100000210210 [0,2,0,0,0,0|2,0,0]=4 21530 B13R1.16 CCCCOc1cccc(c1Br)Br 34a_100010187966_100000210210 [0,2,0,0,0,0|2,0,0]=4 21531 B13R1.16 CCCCOc1cccc(c1Br)Br 7a_100010187966_100000210211 [0,2,0,0,0,0|2,0,0]=4 21532 B13R1.16 CCCCOc1cccc(c1Br)C 34a_100000686692_100000210210 [0,2,0,0,0,0|2,0,0]=4 21533 B13R1.16 CCCCOc1cccc(c1Br)C 7a_100000686692_100000210211 [0,2,0,0,0,0|2,0,0]=4 21534 B13R1.16 CCCCOc1cccc(c1Br)Cl 34a_100012348804_100000210210 [0,2,0,0,0,0|2,0,0]=4 21535 B13R1.16 CCCCOc1cccc(c1Br)Cl 7a_100012348804_100000210211 [0,2,0,0,0,0|2,0,0]=4 21536 B13R1.16 CCCCOc1cccc(c1Br)F 34a_100009820682_100000210210 [0,2,0,0,0,0|2,0,0]=4 21537 B13R1.16 CCCCOc1cccc(c1Br)F 7a_100009820682_100000210211 [0,2,0,0,0,0|2,0,0]=4 21538 B13R1.16 CCCCOc1cccc(c1Br)I 34a_100010187914_100000210210 [0,2,0,0,0,0|2,0,0]=4 21539 B13R1.16 CCCCOc1cccc(c1Br)I 7a_100010187914_100000210211 [0,2,0,0,0,0|2,0,0]=4 21540 B13R1.16 CCCCOc1cccc(c1Br)N 34a_100012183704_100000210210 [0,2,0,0,0,0|2,0,0]=4 21541 B13R1.16 CCCCOc1cccc(c1Br)N 7a_100012183704_100000210211 [0,2,0,0,0,0|2,0,0]=4 21542 B13R1.16 CCCCOc1cccc(c1C)Br 34a_100012002258_100000210210 [0,2,0,0,0,0|2,0,0]=4 21543 B13R1.16 CCCCOc1cccc(c1C)Br 7a_100012002258_100000210211 [0,2,0,0,0,0|2,0,0]=4 21544 B13R1.16 CCCCOc1cccc(c1C)C 34a_100000185855_100000210210 [0,2,0,0,0,0|2,0,0]=4 21545 B13R1.16 CCCCOc1cccc(c1C)C 7a_100000185855_100000210211 [0,2,0,0,0,0|2,0,0]=4 21546 B13R1.16 CCCCOc1cccc(c1C)Cl 34a_100011265684_100000210210 [0,2,0,0,0,0|2,0,0]=4 21547 B13R1.16 CCCCOc1cccc(c1C)Cl 7a_100011265684_100000210211 [0,2,0,0,0,0|2,0,0]=4 21548 B13R1.16 CCCCOc1cccc(c1C)F 34a_100011217231_100000210210 [0,2,0,0,0,0|2,0,0]=4 21549 B13R1.16 CCCCOc1cccc(c1C)F 7a_100011217231_100000210211 [0,2,0,0,0,0|2,0,0]=4 21550 B13R1.16 CCCCOc1cccc(c1C)N 34a_100011216573_100000210210 [0,2,0,0,0,0|2,0,0]=4 21551 B13R1.16 CCCCOc1cccc(c1C)N 7a_100011216573_100000210211 [0,2,0,0,0,0|2,0,0]=4 21552 B13R1.16 CCCCOc1cccc(c1Cl)Br 34a_100010187913_100000210210 [0,2,0,0,0,0|2,0,0]=4 21553 B13R1.16 CCCCOc1cccc(c1Cl)Br 7a_100010187913_100000210211 [0,2,0,0,0,0|2,0,0]=4 21554 B13R1.16 CCCCOc1cccc(c1Cl)C 34a_100000695629_100000210210 [0,2,0,0,0,0|2,0,0]=4 21555 B13R1.16 CCCCOc1cccc(c1Cl)C 7a_100000695629_100000210211 [0,2,0,0,0,0|2,0,0]=4 21556 B13R1.16 CCCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210210 [0,2,0,0,0,0|2,0,0]=4 21557 B13R1.16 CCCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210211 [0,2,0,0,0,0|2,0,0]=4 21558 B13R1.16 CCCCOc1cccc(c1Cl)F 34a_100000087408_100000210210 [0,2,0,0,0,0|2,0,0]=4 21559 B13R1.16 CCCCOc1cccc(c1Cl)F 7a_100000087408_100000210211 [0,2,0,0,0,0|2,0,0]=4 21560 B13R1.16 CCCCOc1cccc(c1Cl)I 34a_100000049636_100000210210 [0,2,0,0,0,0|2,0,0]=4 21561 B13R1.16 CCCCOc1cccc(c1Cl)I 7a_100000049636_100000210211 [0,2,0,0,0,0|2,0,0]=4 21562 B13R1.16 CCCCOc1cccc(c1Cl)N 34a_100012002038_100000210210 [0,2,0,0,0,0|2,0,0]=4 21563 B13R1.16 CCCCOc1cccc(c1Cl)N 7a_100012002038_100000210211 [0,2,0,0,0,0|2,0,0]=4 21564 B13R1.16 CCCCOc1cccc(c1F)Br 34a_100009817021_100000210210 [0,2,0,0,0,0|2,0,0]=4 21565 B13R1.16 CCCCOc1cccc(c1F)Br 7a_100009817021_100000210211 [0,2,0,0,0,0|2,0,0]=4 21566 B13R1.16 CCCCOc1cccc(c1F)C 34a_100000751311_100000210210 [0,2,0,0,0,0|2,0,0]=4 21567 B13R1.16 CCCCOc1cccc(c1F)C 7a_100000751311_100000210211 [0,2,0,0,0,0|2,0,0]=4 21568 B13R1.16 CCCCOc1cccc(c1F)Cl 34a_100000687438_100000210210 [0,2,0,0,0,0|2,0,0]=4 21569 B13R1.16 CCCCOc1cccc(c1F)Cl 7a_100000687438_100000210211 [0,2,0,0,0,0|2,0,0]=4 21570 B13R1.16 CCCCOc1cccc(c1F)F 34a_100000751161_100000210210 [0,2,0,0,0,0|2,0,0]=4 21571 B13R1.16 CCCCOc1cccc(c1F)F 7a_100000751161_100000210211 [0,2,0,0,0,0|2,0,0]=4 21572 B13R1.16 CCCCOc1cccc(c1I)Br 34a_100010187912_100000210210 [0,2,0,0,0,0|2,0,0]=4 21573 B13R1.16 CCCCOc1cccc(c1I)Br 7a_100010187912_100000210211 [0,2,0,0,0,0|2,0,0]=4 21574 B13R1.16 CCCCOc1cccc(c1I)C 34a_100010083724_100000210210 [0,2,0,0,0,0|2,0,0]=4 21575 B13R1.16 CCCCOc1cccc(c1I)C 7a_100010083724_100000210211 [0,2,0,0,0,0|2,0,0]=4 21576 B13R1.16 CCCCOc1cccc(c1I)Cl 34a_100000050174_100000210210 [0,2,0,0,0,0|2,0,0]=4 21577 B13R1.16 CCCCOc1cccc(c1I)Cl 7a_100000050174_100000210211 [0,2,0,0,0,0|2,0,0]=4 21578 B13R1.16 CCCCOc1cccc(c1I)F 34a_100000690913_100000210210 [0,2,0,0,0,0|2,0,0]=4 21579 B13R1.16 CCCCOc1cccc(c1I)F 7a_100000690913_100000210211 [0,2,0,0,0,0|2,0,0]=4 21580 B13R1.16 CCCCOc1cccc(c1N)Br 34a_100011934926_100000210210 [0,2,0,0,0,0|2,0,0]=4 21581 B13R1.16 CCCCOc1cccc(c1N)Br 7a_100011934926_100000210211 [0,2,0,0,0,0|2,0,0]=4 21582 B13R1.16 CCCCOc1cccc(c1N)C 34a_100000743429_100000210210 [0,2,0,0,0,0|2,0,0]=4 21583 B13R1.16 CCCCOc1cccc(c1N)C 7a_100000743429_100000210211 [0,2,0,0,0,0|2,0,0]=4 21584 B13R1.16 CCCCOc1cccc(c1N)Cl 34a_100012022510_100000210210 [0,2,0,0,0,0|2,0,0]=4 21585 B13R1.16 CCCCOc1cccc(c1N)Cl 7a_100012022510_100000210211 [0,2,0,0,0,0|2,0,0]=4 21586 B13R1.16 CCCCOc1cccc(c1N)F 34a_100020591140_100000210210 [0,2,0,0,0,0|2,0,0]=4 21587 B13R1.16 CCCCOc1cccc(c1N)F 7a_100020591140_100000210211 [0,2,0,0,0,0|2,0,0]=4 21588 B13R1.16 CCCCOc1cccc(c1N)I 34a_200000049512_100000210210 [0,2,0,0,0,0|2,0,0]=4 21589 B13R1.16 CCCCOc1cccc(c1N)I 7a_200000049512_100000210211 [0,2,0,0,0,0|2,0,0]=4 21590 B13R1.16 CCCCOc1cccc(c1N)N 34a_100000033209_100000210210 [0,2,0,0,0,0|2,0,0]=4 21591 B13R1.16 CCCCSc1cccc(c1Br)C 62a_100000210211_100012362457 [0,2,0,0,0,0|2,0,0]=4 21592 B13R1.16 CCCCSc1cccc(c1Br)C 62a_100012362457_100000210210 [0,2,0,0,0,0|2,0,0]=4 21593 B13R1.16 CCCCSc1cccc(c1Br)Cl 62a_100000210211_100014021842 [0,2,0,0,0,0|2,0,0]=4 21594 B13R1.16 CCCCSc1cccc(c1Br)Cl 62a_100014021842_100000210210 [0,2,0,0,0,0|2,0,0]=4 21595 B13R1.16 CCCCSc1cccc(c1Br)F 62a_100000210211_100010202630 [0,2,0,0,0,0|2,0,0]=4 21596 B13R1.16 CCCCSc1cccc(c1Br)F 62a_100010202630_100000210210 [0,2,0,0,0,0|2,0,0]=4 21597 B13R1.16 CCCCSc1cccc(c1Br)O 62a_100000210211_100010187914 [0,2,0,0,0,0|2,0,0]=4 21598 B13R1.16 CCCCSc1cccc(c1Br)O 62a_100010187914_100000210210 [0,2,0,0,0,0|2,0,0]=4 21599 B13R1.16 CCCCSc1cccc(c1C)Br 62a_100000210211_100012353703 [0,2,0,0,0,0|2,0,0]=4 21600 B13R1.16 CCCCSc1cccc(c1C)Br 62a_100012353703_100000210210 [0,2,0,0,0,0|2,0,0]=4 21601 B13R1.16 CCCCSc1cccc(c1C)C 62a_100000210211_100011214922 [0,2,0,0,0,0|2,0,0]=4 21602 B13R1.16 CCCCSc1cccc(c1C)C 62a_100011214922_100000210210 [0,2,0,0,0,0|2,0,0]=4 21603 B13R1.16 CCCCSc1cccc(c1C)Cl 62a_100000210211_100000726075 [0,2,0,0,0,0|2,0,0]=4 21604 B13R1.16 CCCCSc1cccc(c1C)Cl 62a_100000726075_100000210210 [0,2,0,0,0,0|2,0,0]=4 21605 B13R1.16 CCCCSc1cccc(c1C)F 62a_100000210211_100011216893 [0,2,0,0,0,0|2,0,0]=4 21606 B13R1.16 CCCCSc1cccc(c1C)F 62a_100011216893_100000210210 [0,2,0,0,0,0|2,0,0]=4 21607 B13R1.16 CCCCSc1cccc(c1C)N 62a_100000210211_100000761887 [0,2,0,0,0,0|2,0,0]=4 21608 B13R1.16 CCCCSc1cccc(c1C)N 62a_100000761887_100000210210 [0,2,0,0,0,0|2,0,0]=4 21609 B13R1.16 CCCCSc1cccc(c1C)O 62a_100000210211_100012002258 [0,2,0,0,0,0|2,0,0]=4 21610 B13R1.16 CCCCSc1cccc(c1C)O 62a_100012002258_100000210210 [0,2,0,0,0,0|2,0,0]=4 21611 B13R1.16 CCCCSc1cccc(c1Cl)Br 62a_100000210211_100010142854 [0,2,0,0,0,0|2,0,0]=4 21612 B13R1.16 CCCCSc1cccc(c1Cl)Br 62a_100010142854_100000210210 [0,2,0,0,0,0|2,0,0]=4 21613 B13R1.16 CCCCSc1cccc(c1Cl)C 62a_100000210211_200012352035 [0,2,0,0,0,0|2,0,0]=4 21614 B13R1.16 CCCCSc1cccc(c1Cl)C 62a_200012352035_100000210210 [0,2,0,0,0,0|2,0,0]=4 21615 B13R1.16 CCCCSc1cccc(c1Cl)Cl 62a_100000210211_100011215384 [0,2,0,0,0,0|2,0,0]=4 21616 B13R1.16 CCCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210210 [0,2,0,0,0,0|2,0,0]=4 21617 B13R1.16 CCCCSc1cccc(c1Cl)F 62a_100000210211_200010234923 [0,2,0,0,0,0|2,0,0]=4 21618 B13R1.16 CCCCSc1cccc(c1Cl)F 62a_200010234923_100000210210 [0,2,0,0,0,0|2,0,0]=4 21619 B13R1.16 CCCCSc1cccc(c1Cl)O 62a_100000210211_100000049636 [0,2,0,0,0,0|2,0,0]=4 21620 B13R1.16 CCCCSc1cccc(c1F)Br 62a_100000210211_100000702267 [0,2,0,0,0,0|2,0,0]=4 21621 B13R1.16 CCCCSc1cccc(c1F)Br 62a_100000702267_100000210210 [0,2,0,0,0,0|2,0,0]=4 21622 B13R1.16 CCCCSc1cccc(c1F)C 62a_100000210211_100000717567 [0,2,0,0,0,0|2,0,0]=4 21623 B13R1.16 CCCCSc1cccc(c1F)C 62a_100000717567_100000210210 [0,2,0,0,0,0|2,0,0]=4 21624 B13R1.16 CCCCSc1cccc(c1F)Cl 62a_100000210211_100011217346 [0,2,0,0,0,0|2,0,0]=4 21625 B13R1.16 CCCCSc1cccc(c1F)Cl 62a_100011217346_100000210210 [0,2,0,0,0,0|2,0,0]=4 21626 B13R1.16 CCCCSc1cccc(c1F)F 62a_100000210211_100000694657 [0,2,0,0,0,0|2,0,0]=4 21627 B13R1.16 CCCCSc1cccc(c1F)F 62a_100000694657_100000210210 [0,2,0,0,0,0|2,0,0]=4 21628 B13R1.16 CCCCSc1cccc(c1F)N 62a_100000210211_100011935091 [0,2,0,0,0,0|2,0,0]=4 21629 B13R1.16 CCCCSc1cccc(c1F)N 62a_100011935091_100000210210 [0,2,0,0,0,0|2,0,0]=4 21630 B13R1.16 CCCCSc1cccc(c1F)O 62a_100000210211_100009817021 [0,2,0,0,0,0|2,0,0]=4 21631 B13R1.16 CCCCSc1cccc(c1F)O 62a_100009817021_100000210210 [0,2,0,0,0,0|2,0,0]=4 21632 B13R1.16 CCCCSc1cccc(c1N)Br 62a_100000210211_100010146558 [0,2,0,0,0,0|2,0,0]=4 21633 B13R1.16 CCCCSc1cccc(c1N)Br 62a_100010146558_100000210210 [0,2,0,0,0,0|2,0,0]=4 21634 B13R1.16 CCCCSc1cccc(c1N)C 62a_100000210211_100011834072 [0,2,0,0,0,0|2,0,0]=4 21635 B13R1.16 CCCCSc1cccc(c1N)C 62a_100011834072_100000210210 [0,2,0,0,0,0|2,0,0]=4 21636 B13R1.16 CCCCSc1cccc(c1N)Cl 62a_100000210211_100010190421 [0,2,0,0,0,0|2,0,0]=4 21637 B13R1.16 CCCCSc1cccc(c1N)Cl 62a_100010190421_100000210210 [0,2,0,0,0,0|2,0,0]=4 21638 B13R1.16 CCCCSc1cccc(c1N)F 62a_100000042321_100000210210 [0,2,0,0,0,0|2,0,0]=4 21639 B13R1.16 CCCCSc1cccc(c1N)F 62a_100000210211_100000042321 [0,2,0,0,0,0|2,0,0]=4 21640 B13R1.16 CCCCSc1cccc(c1N)N 62a_100015191791_100000210210 [0,2,0,0,0,0|2,0,0]=4 21641 B13R1.16 CCCCSc1cccc(c1N)O 62a_100000210211_100011934926 [0,2,0,0,0,0|2,0,0]=4 21642 B13R1.16 CCCCSc1cccc(c1O)Br 62a_100000210211_100010084509 [0,2,0,0,0,0|2,0,0]=4 21643 B13R1.16 CCCCSc1cccc(c1O)Br 62a_100010084509_100000210210 [0,2,0,0,0,0|2,0,0]=4 21644 B13R1.16 CCCCSc1cccc(c1O)C 62a_100000210211_100009817157 [0,2,0,0,0,0|2,0,0]=4 21645 B13R1.16 CCCCSc1cccc(c1O)C 62a_100009817157_100000210210 [0,2,0,0,0,0|2,0,0]=4 21646 B13R1.16 CCCCSc1cccc(c1O)Cl 62a_100000210211_100010202889 [0,2,0,0,0,0|2,0,0]=4 21647 B13R1.16 CCCCSc1cccc(c1O)Cl 62a_100010202889_100000210210 [0,2,0,0,0,0|2,0,0]=4 21648 B13R1.16 CCCCSc1cccc(c1O)F 62a_100000210211_100009813666 [0,2,0,0,0,0|2,0,0]=4 21649 B13R1.16 CCCCSc1cccc(c1O)F 62a_100009813666_100000210210 [0,2,0,0,0,0|2,0,0]=4 21650 B13R1.16 CCCCSc1cccc(c1O)N 62a_100000210211_100010084371 [0,2,0,0,0,0|2,0,0]=4 21651 B13R1.16 CCCCSc1cccc(c1O)N 62a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 21652 B13R1.16 CCCCSc1cccc(c1O)O 62a_100000210211_100009815950 [0,2,0,0,0,0|2,0,0]=4 21653 B13R1.16 CCCNCc1cccc(c1Br)Br 207a_100020643023_100010240334 [0,2,0,0,0,0|2,0,0]=4 21654 B13R1.16 CCCNCc1cccc(c1Br)Br 270004a_100020643023_100010240334 [0,2,0,0,0,0|2,0,0]=4 21655 B13R1.16 CCCNCc1cccc(c1Br)C 207a_100020643023_100012186367 [0,2,0,0,0,0|2,0,0]=4 21656 B13R1.16 CCCNCc1cccc(c1Br)C 270004a_100020643023_100012186367 [0,2,0,0,0,0|2,0,0]=4 21657 B13R1.16 CCCNCc1cccc(c1Br)Cl 207a_100020643023_100010232083 [0,2,0,0,0,0|2,0,0]=4 21658 B13R1.16 CCCNCc1cccc(c1Br)Cl 270004a_100020643023_100010232083 [0,2,0,0,0,0|2,0,0]=4 21659 B13R1.16 CCCNCc1cccc(c1Br)F 207a_100020643023_100011934749 [0,2,0,0,0,0|2,0,0]=4 21660 B13R1.16 CCCNCc1cccc(c1Br)F 2230a_100020638964_100000210303 [0,2,0,0,0,0|2,0,0]=4 21661 B13R1.16 CCCNCc1cccc(c1Br)F 270004a_100020643023_100011934749 [0,2,0,0,0,0|2,0,0]=4 21662 B13R1.16 CCCNCc1cccc(c1Br)F 34a_100020638964_100000210303 [0,2,0,0,0,0|2,0,0]=4 21663 B13R1.16 CCCNCc1cccc(c1C)Br 207a_100020643023_100012179384 [0,2,0,0,0,0|2,0,0]=4 21664 B13R1.16 CCCNCc1cccc(c1C)Br 270004a_100020643023_100012179384 [0,2,0,0,0,0|2,0,0]=4 21665 B13R1.16 CCCNCc1cccc(c1C)Br 34a_100000724210_100000210303 [0,2,0,0,0,0|2,0,0]=4 21666 B13R1.16 CCCNCc1cccc(c1C)C 207a_100020643023_100000229941 [0,2,0,0,0,0|2,0,0]=4 21667 B13R1.16 CCCNCc1cccc(c1C)C 2230a_100011211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 21668 B13R1.16 CCCNCc1cccc(c1C)C 270004a_100020643023_100000229941 [0,2,0,0,0,0|2,0,0]=4 21669 B13R1.16 CCCNCc1cccc(c1C)C 34a_100011211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 21670 B13R1.16 CCCNCc1cccc(c1C)Cl 207a_100020643023_100012002129 [0,2,0,0,0,0|2,0,0]=4 21671 B13R1.16 CCCNCc1cccc(c1C)Cl 2230a_100020639605_100000210303 [0,2,0,0,0,0|2,0,0]=4 21672 B13R1.16 CCCNCc1cccc(c1C)Cl 270004a_100020643023_100012002129 [0,2,0,0,0,0|2,0,0]=4 21673 B13R1.16 CCCNCc1cccc(c1C)Cl 34a_100020639605_100000210303 [0,2,0,0,0,0|2,0,0]=4 21674 B13R1.16 CCCNCc1cccc(c1C)F 207a_100020643023_100000037668 [0,2,0,0,0,0|2,0,0]=4 21675 B13R1.16 CCCNCc1cccc(c1C)F 2230a_100132306986_100000210303 [0,2,0,0,0,0|2,0,0]=4 21676 B13R1.16 CCCNCc1cccc(c1C)F 270004a_100020643023_100000037668 [0,2,0,0,0,0|2,0,0]=4 21677 B13R1.16 CCCNCc1cccc(c1C)F 34a_100132306986_100000210303 [0,2,0,0,0,0|2,0,0]=4 21678 B13R1.16 CCCNCc1cccc(c1C)O 270004a_100020643023_100009868165 [0,2,0,0,0,0|2,0,0]=4 21679 B13R1.16 CCCNCc1cccc(c1Cl)Br 207a_100020643023_100012362481 [0,2,0,0,0,0|2,0,0]=4 21680 B13R1.16 CCCNCc1cccc(c1Cl)Br 270004a_100020643023_100012362481 [0,2,0,0,0,0|2,0,0]=4 21681 B13R1.16 CCCNCc1cccc(c1Cl)C 207a_100020643023_100012017286 [0,2,0,0,0,0|2,0,0]=4 21682 B13R1.16 CCCNCc1cccc(c1Cl)C 2230a_100025705714_100000210303 [0,2,0,0,0,0|2,0,0]=4 21683 B13R1.16 CCCNCc1cccc(c1Cl)C 270004a_100020643023_100012017286 [0,2,0,0,0,0|2,0,0]=4 21684 B13R1.16 CCCNCc1cccc(c1Cl)C 34a_100025705714_100000210303 [0,2,0,0,0,0|2,0,0]=4 21685 B13R1.16 CCCNCc1cccc(c1Cl)Cl 207a_100020643023_100000210504 [0,2,0,0,0,0|2,0,0]=4 21686 B13R1.16 CCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210303 [0,2,0,0,0,0|2,0,0]=4 21687 B13R1.16 CCCNCc1cccc(c1Cl)Cl 270004a_100020643023_100000210504 [0,2,0,0,0,0|2,0,0]=4 21688 B13R1.16 CCCNCc1cccc(c1Cl)Cl 34a_100011211633_100000210303 [0,2,0,0,0,0|2,0,0]=4 21689 B13R1.16 CCCNCc1cccc(c1Cl)F 207a_100020643023_100011998484 [0,2,0,0,0,0|2,0,0]=4 21690 B13R1.16 CCCNCc1cccc(c1Cl)F 2230a_100012001614_100000210303 [0,2,0,0,0,0|2,0,0]=4 21691 B13R1.16 CCCNCc1cccc(c1Cl)F 270004a_100020643023_100011998484 [0,2,0,0,0,0|2,0,0]=4 21692 B13R1.16 CCCNCc1cccc(c1Cl)F 34a_100012001614_100000210303 [0,2,0,0,0,0|2,0,0]=4 21693 B13R1.16 CCCNCc1cccc(c1Cl)O 270004a_100020643023_100000050521 [0,2,0,0,0,0|2,0,0]=4 21694 B13R1.16 CCCNCc1cccc(c1F)Br 207a_100020643023_100011361543 [0,2,0,0,0,0|2,0,0]=4 21695 B13R1.16 CCCNCc1cccc(c1F)Br 2230a_100015189953_100000210303 [0,2,0,0,0,0|2,0,0]=4 21696 B13R1.16 CCCNCc1cccc(c1F)Br 270004a_100020643023_100011361543 [0,2,0,0,0,0|2,0,0]=4 21697 B13R1.16 CCCNCc1cccc(c1F)Br 34a_100015189953_100000210303 [0,2,0,0,0,0|2,0,0]=4 21698 B13R1.16 CCCNCc1cccc(c1F)C 207a_100020643023_100011219516 [0,2,0,0,0,0|2,0,0]=4 21699 B13R1.16 CCCNCc1cccc(c1F)C 2230a_100012002060_100000210303 [0,2,0,0,0,0|2,0,0]=4 21700 B13R1.16 CCCNCc1cccc(c1F)C 270004a_100020643023_100011219516 [0,2,0,0,0,0|2,0,0]=4 21701 B13R1.16 CCCNCc1cccc(c1F)C 34a_100012002060_100000210303 [0,2,0,0,0,0|2,0,0]=4 21702 B13R1.16 CCCNCc1cccc(c1F)Cl 207a_100020643023_100000766533 [0,2,0,0,0,0|2,0,0]=4 21703 B13R1.16 CCCNCc1cccc(c1F)Cl 2230a_100000764326_100000210303 [0,2,0,0,0,0|2,0,0]=4 21704 B13R1.16 CCCNCc1cccc(c1F)Cl 270004a_100020643023_100000766533 [0,2,0,0,0,0|2,0,0]=4 21705 B13R1.16 CCCNCc1cccc(c1F)Cl 34a_100000764326_100000210303 [0,2,0,0,0,0|2,0,0]=4 21706 B13R1.16 CCCNCc1cccc(c1F)F 207a_100020643023_100000753312 [0,2,0,0,0,0|2,0,0]=4 21707 B13R1.16 CCCNCc1cccc(c1F)F 2230a_100011199105_100000210303 [0,2,0,0,0,0|2,0,0]=4 21708 B13R1.16 CCCNCc1cccc(c1F)F 270004a_100020643023_100000753312 [0,2,0,0,0,0|2,0,0]=4 21709 B13R1.16 CCCNCc1cccc(c1F)F 34a_100011199105_100000210303 [0,2,0,0,0,0|2,0,0]=4 21710 B13R1.16 CCCNCc1cccc(c1F)I 207a_100020643023_100010202174 [0,2,0,0,0,0|2,0,0]=4 21711 B13R1.16 CCCNCc1cccc(c1F)I 270004a_100020643023_100010202174 [0,2,0,0,0,0|2,0,0]=4 21712 B13R1.16 CCCNCc1cccc(c1F)O 271570a_203496583355_200012662976 [0,2,0,0,0,0|2,0,0]=4 21713 B13R1.16 CCCNCc1cccc(c1F)O 34a_100025773512_100000210303 [0,2,0,0,0,0|2,0,0]=4 21714 B13R1.16 CCCNCc1cccc(c1I)F 207a_100020643023_100010186293 [0,2,0,0,0,0|2,0,0]=4 21715 B13R1.16 CCCNCc1cccc(c1I)F 270004a_100020643023_100010186293 [0,2,0,0,0,0|2,0,0]=4 21716 B13R1.16 CCCNCc1cccc(c1O)C 34a_100020639391_100000210303 [0,2,0,0,0,0|2,0,0]=4 21717 B13R1.16 CCCOCc1cccc(c1Br)C 34a_100000210258_200012349612 [0,2,0,0,0,0|2,0,0]=4 21718 B13R1.16 CCCOCc1cccc(c1Br)C 34a_100011659289_100000210303 [0,2,0,0,0,0|2,0,0]=4 21719 B13R1.16 CCCOCc1cccc(c1Br)C 7a_100011659289_100000210303 [0,2,0,0,0,0|2,0,0]=4 21720 B13R1.16 CCCOCc1cccc(c1Br)Cl 34a_100000210258_100010145525 [0,2,0,0,0,0|2,0,0]=4 21721 B13R1.16 CCCOCc1cccc(c1Br)Cl 34a_100010168166_100000210303 [0,2,0,0,0,0|2,0,0]=4 21722 B13R1.16 CCCOCc1cccc(c1Br)Cl 7a_100010168166_100000210303 [0,2,0,0,0,0|2,0,0]=4 21723 B13R1.16 CCCOCc1cccc(c1Br)F 34a_100000210258_100012351116 [0,2,0,0,0,0|2,0,0]=4 21724 B13R1.16 CCCOCc1cccc(c1Br)F 34a_100012351117_100000210303 [0,2,0,0,0,0|2,0,0]=4 21725 B13R1.16 CCCOCc1cccc(c1Br)F 7a_100012351117_100000210303 [0,2,0,0,0,0|2,0,0]=4 21726 B13R1.16 CCCOCc1cccc(c1Br)I 34a_100000210258_100010254545 [0,2,0,0,0,0|2,0,0]=4 21727 B13R1.16 CCCOCc1cccc(c1Br)I 34a_100010240205_100000210303 [0,2,0,0,0,0|2,0,0]=4 21728 B13R1.16 CCCOCc1cccc(c1Br)I 7a_100010240205_100000210303 [0,2,0,0,0,0|2,0,0]=4 21729 B13R1.16 CCCOCc1cccc(c1C)Br 34a_100000210258_100000694682 [0,2,0,0,0,0|2,0,0]=4 21730 B13R1.16 CCCOCc1cccc(c1C)Br 34a_100000694458_100000210303 [0,2,0,0,0,0|2,0,0]=4 21731 B13R1.16 CCCOCc1cccc(c1C)Br 7a_100000694458_100000210303 [0,2,0,0,0,0|2,0,0]=4 21732 B13R1.16 CCCOCc1cccc(c1C)C 34a_100000210258_100011273979 [0,2,0,0,0,0|2,0,0]=4 21733 B13R1.16 CCCOCc1cccc(c1C)C 34a_100011219135_100000210303 [0,2,0,0,0,0|2,0,0]=4 21734 B13R1.16 CCCOCc1cccc(c1C)C 7a_100011219135_100000210303 [0,2,0,0,0,0|2,0,0]=4 21735 B13R1.16 CCCOCc1cccc(c1C)Cl 34a_100000210258_100012186920 [0,2,0,0,0,0|2,0,0]=4 21736 B13R1.16 CCCOCc1cccc(c1C)Cl 34a_100012000165_100000210303 [0,2,0,0,0,0|2,0,0]=4 21737 B13R1.16 CCCOCc1cccc(c1C)Cl 7a_100012000165_100000210303 [0,2,0,0,0,0|2,0,0]=4 21738 B13R1.16 CCCOCc1cccc(c1C)F 34a_100000042775_100000210303 [0,2,0,0,0,0|2,0,0]=4 21739 B13R1.16 CCCOCc1cccc(c1C)F 34a_100000210258_100009813626 [0,2,0,0,0,0|2,0,0]=4 21740 B13R1.16 CCCOCc1cccc(c1C)F 7a_100000042775_100000210303 [0,2,0,0,0,0|2,0,0]=4 21741 B13R1.16 CCCOCc1cccc(c1C)I 34a_100000210258_100010150147 [0,2,0,0,0,0|2,0,0]=4 21742 B13R1.16 CCCOCc1cccc(c1C)I 34a_100010150139_100000210303 [0,2,0,0,0,0|2,0,0]=4 21743 B13R1.16 CCCOCc1cccc(c1C)I 7a_100010150139_100000210303 [0,2,0,0,0,0|2,0,0]=4 21744 B13R1.16 CCCOCc1cccc(c1C)N 34a_102495339961_100000210303 [0,2,0,0,0,0|2,0,0]=4 21745 B13R1.16 CCCOCc1cccc(c1C)N 7a_102495339961_100000210303 [0,2,0,0,0,0|2,0,0]=4 21746 B13R1.16 CCCOCc1cccc(c1Cl)Br 34a_100000210258_100012349491 [0,2,0,0,0,0|2,0,0]=4 21747 B13R1.16 CCCOCc1cccc(c1Cl)Br 34a_100012351182_100000210303 [0,2,0,0,0,0|2,0,0]=4 21748 B13R1.16 CCCOCc1cccc(c1Cl)Br 7a_100012351182_100000210303 [0,2,0,0,0,0|2,0,0]=4 21749 B13R1.16 CCCOCc1cccc(c1Cl)C 34a_100000710031_100000210303 [0,2,0,0,0,0|2,0,0]=4 21750 B13R1.16 CCCOCc1cccc(c1Cl)C 7a_100000710031_100000210303 [0,2,0,0,0,0|2,0,0]=4 21751 B13R1.16 CCCOCc1cccc(c1Cl)Cl 34a_100000210258_100000723366 [0,2,0,0,0,0|2,0,0]=4 21752 B13R1.16 CCCOCc1cccc(c1Cl)Cl 34a_100000720469_100000210303 [0,2,0,0,0,0|2,0,0]=4 21753 B13R1.16 CCCOCc1cccc(c1Cl)Cl 7a_100000720469_100000210303 [0,2,0,0,0,0|2,0,0]=4 21754 B13R1.16 CCCOCc1cccc(c1Cl)F 34a_100000210258_100000696688 [0,2,0,0,0,0|2,0,0]=4 21755 B13R1.16 CCCOCc1cccc(c1Cl)F 34a_100000696319_100000210303 [0,2,0,0,0,0|2,0,0]=4 21756 B13R1.16 CCCOCc1cccc(c1Cl)F 7a_100000696319_100000210303 [0,2,0,0,0,0|2,0,0]=4 21757 B13R1.16 CCCOCc1cccc(c1F)Br 34a_100000210258_100012356506 [0,2,0,0,0,0|2,0,0]=4 21758 B13R1.16 CCCOCc1cccc(c1F)Br 34a_100011935076_100000210303 [0,2,0,0,0,0|2,0,0]=4 21759 B13R1.16 CCCOCc1cccc(c1F)Br 7a_100011935076_100000210303 [0,2,0,0,0,0|2,0,0]=4 21760 B13R1.16 CCCOCc1cccc(c1F)C 34a_100000210258_100011216058 [0,2,0,0,0,0|2,0,0]=4 21761 B13R1.16 CCCOCc1cccc(c1F)C 34a_200011219517_100000210303 [0,2,0,0,0,0|2,0,0]=4 21762 B13R1.16 CCCOCc1cccc(c1F)C 7a_200011219517_100000210303 [0,2,0,0,0,0|2,0,0]=4 21763 B13R1.16 CCCOCc1cccc(c1F)Cl 34a_100000210258_100000716733 [0,2,0,0,0,0|2,0,0]=4 21764 B13R1.16 CCCOCc1cccc(c1F)Cl 34a_100011216988_100000210303 [0,2,0,0,0,0|2,0,0]=4 21765 B13R1.16 CCCOCc1cccc(c1F)Cl 7a_100011216988_100000210303 [0,2,0,0,0,0|2,0,0]=4 21766 B13R1.16 CCCOCc1cccc(c1F)F 34a_100000210258_100000217499 [0,2,0,0,0,0|2,0,0]=4 21767 B13R1.16 CCCOCc1cccc(c1F)F 34a_100011218644_100000210303 [0,2,0,0,0,0|2,0,0]=4 21768 B13R1.16 CCCOCc1cccc(c1F)F 7a_100011218644_100000210303 [0,2,0,0,0,0|2,0,0]=4 21769 B13R1.16 CCCOCc1cccc(c1F)I 34a_200010235739_100000210303 [0,2,0,0,0,0|2,0,0]=4 21770 B13R1.16 CCCOCc1cccc(c1F)I 7a_200010235739_100000210303 [0,2,0,0,0,0|2,0,0]=4 21771 B13R1.16 CCCOCc1cccc(c1F)N 34a_100012023829_100000210303 [0,2,0,0,0,0|2,0,0]=4 21772 B13R1.16 CCCOCc1cccc(c1I)Br 34a_100010146604_100000210303 [0,2,0,0,0,0|2,0,0]=4 21773 B13R1.16 CCCOCc1cccc(c1I)Br 7a_100010146604_100000210303 [0,2,0,0,0,0|2,0,0]=4 21774 B13R1.16 CCCOCc1cccc(c1I)C 34a_100012349780_100000210303 [0,2,0,0,0,0|2,0,0]=4 21775 B13R1.16 CCCOCc1cccc(c1I)C 7a_100012349780_100000210303 [0,2,0,0,0,0|2,0,0]=4 21776 B13R1.16 CCCOCc1cccc(c1I)F 34a_100000210258_100010149603 [0,2,0,0,0,0|2,0,0]=4 21777 B13R1.16 CCCOCc1cccc(c1I)F 34a_100000692438_100000210303 [0,2,0,0,0,0|2,0,0]=4 21778 B13R1.16 CCCOCc1cccc(c1I)F 7a_100000692438_100000210303 [0,2,0,0,0,0|2,0,0]=4 21779 B13R1.16 CCCOCc1cccc(c1N)Br 34a_100012349457_100000210303 [0,2,0,0,0,0|2,0,0]=4 21780 B13R1.16 CCCOCc1cccc(c1N)C 34a_100011215590_100000210303 [0,2,0,0,0,0|2,0,0]=4 21781 B13R1.16 CCCOCc1cccc(c1N)Cl 34a_100012182729_100000210303 [0,2,0,0,0,0|2,0,0]=4 21782 B13R1.16 CCCOCc1cccc(c1N)F 34a_100000692437_100000210303 [0,2,0,0,0,0|2,0,0]=4 21783 B13R1.16 CCCSCc1cccc(c1Br)C 62a_100000210303_200012349612 [0,2,0,0,0,0|2,0,0]=4 21784 B13R1.16 CCCSCc1cccc(c1Br)C 62a_200012349612_100000210303 [0,2,0,0,0,0|2,0,0]=4 21785 B13R1.16 CCCSCc1cccc(c1Br)Cl 62a_100000210303_100010145525 [0,2,0,0,0,0|2,0,0]=4 21786 B13R1.16 CCCSCc1cccc(c1Br)Cl 62a_100010145525_100000210303 [0,2,0,0,0,0|2,0,0]=4 21787 B13R1.16 CCCSCc1cccc(c1Br)F 62a_100000210303_100012351116 [0,2,0,0,0,0|2,0,0]=4 21788 B13R1.16 CCCSCc1cccc(c1Br)F 62a_100012351116_100000210303 [0,2,0,0,0,0|2,0,0]=4 21789 B13R1.16 CCCSCc1cccc(c1Br)I 62a_100000210303_100010254545 [0,2,0,0,0,0|2,0,0]=4 21790 B13R1.16 CCCSCc1cccc(c1Br)I 62a_100010254545_100000210303 [0,2,0,0,0,0|2,0,0]=4 21791 B13R1.16 CCCSCc1cccc(c1C)Br 62a_100000210303_100000694682 [0,2,0,0,0,0|2,0,0]=4 21792 B13R1.16 CCCSCc1cccc(c1C)Br 62a_100000694682_100000210303 [0,2,0,0,0,0|2,0,0]=4 21793 B13R1.16 CCCSCc1cccc(c1C)C 62a_100000210303_100011515928 [0,2,0,0,0,0|2,0,0]=4 21794 B13R1.16 CCCSCc1cccc(c1C)C 62a_100011515928_100000210303 [0,2,0,0,0,0|2,0,0]=4 21795 B13R1.16 CCCSCc1cccc(c1C)Cl 62a_100000210303_100012186920 [0,2,0,0,0,0|2,0,0]=4 21796 B13R1.16 CCCSCc1cccc(c1C)Cl 62a_100012186920_100000210303 [0,2,0,0,0,0|2,0,0]=4 21797 B13R1.16 CCCSCc1cccc(c1C)F 62a_100000210303_100009813626 [0,2,0,0,0,0|2,0,0]=4 21798 B13R1.16 CCCSCc1cccc(c1C)F 62a_100009813626_100000210303 [0,2,0,0,0,0|2,0,0]=4 21799 B13R1.16 CCCSCc1cccc(c1C)I 62a_100000210303_100010150147 [0,2,0,0,0,0|2,0,0]=4 21800 B13R1.16 CCCSCc1cccc(c1C)I 62a_100010150147_100000210303 [0,2,0,0,0,0|2,0,0]=4 21801 B13R1.16 CCCSCc1cccc(c1Cl)Br 62a_100000210303_100012349491 [0,2,0,0,0,0|2,0,0]=4 21802 B13R1.16 CCCSCc1cccc(c1Cl)Br 62a_100012349491_100000210303 [0,2,0,0,0,0|2,0,0]=4 21803 B13R1.16 CCCSCc1cccc(c1Cl)Cl 62a_100000210303_100000723366 [0,2,0,0,0,0|2,0,0]=4 21804 B13R1.16 CCCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210303 [0,2,0,0,0,0|2,0,0]=4 21805 B13R1.16 CCCSCc1cccc(c1Cl)F 62a_100000210303_100000696688 [0,2,0,0,0,0|2,0,0]=4 21806 B13R1.16 CCCSCc1cccc(c1Cl)F 62a_100000696688_100000210303 [0,2,0,0,0,0|2,0,0]=4 21807 B13R1.16 CCCSCc1cccc(c1F)Br 62a_100000210303_100012356506 [0,2,0,0,0,0|2,0,0]=4 21808 B13R1.16 CCCSCc1cccc(c1F)Br 62a_100012356506_100000210303 [0,2,0,0,0,0|2,0,0]=4 21809 B13R1.16 CCCSCc1cccc(c1F)C 62a_100000210303_100011216058 [0,2,0,0,0,0|2,0,0]=4 21810 B13R1.16 CCCSCc1cccc(c1F)C 62a_100011216058_100000210303 [0,2,0,0,0,0|2,0,0]=4 21811 B13R1.16 CCCSCc1cccc(c1F)Cl 62a_100000210303_100000716733 [0,2,0,0,0,0|2,0,0]=4 21812 B13R1.16 CCCSCc1cccc(c1F)Cl 62a_100000716733_100000210303 [0,2,0,0,0,0|2,0,0]=4 21813 B13R1.16 CCCSCc1cccc(c1F)F 62a_100000210303_100000217499 [0,2,0,0,0,0|2,0,0]=4 21814 B13R1.16 CCCSCc1cccc(c1F)F 62a_100000217499_100000210303 [0,2,0,0,0,0|2,0,0]=4 21815 B13R1.16 CCCSCc1cccc(c1I)F 62a_100000210303_100010149603 [0,2,0,0,0,0|2,0,0]=4 21816 B13R1.16 CCCSCc1cccc(c1I)F 62a_100010149603_100000210303 [0,2,0,0,0,0|2,0,0]=4 21817 B13R1.16 CCNCCc1cccc(c1C)Br 2230a_100161000114_100000210202 [0,2,0,0,0,0|2,0,0]=4 21818 B13R1.16 CCNCCc1cccc(c1C)Br 34a_100161000114_100000210202 [0,2,0,0,0,0|2,0,0]=4 21819 B13R1.16 CCNCCc1cccc(c1Cl)Cl 2230a_100000741019_100000210202 [0,2,0,0,0,0|2,0,0]=4 21820 B13R1.16 CCNCCc1cccc(c1Cl)Cl 2230a_100015525214_100000723033 [0,2,0,0,0,0|2,0,0]=4 21821 B13R1.16 CCNCCc1cccc(c1Cl)Cl 34a_100000741019_100000210202 [0,2,0,0,0,0|2,0,0]=4 21822 B13R1.16 CCOCCc1cccc(c1Cl)Cl 34a_100011754357_100000210202 [0,2,0,0,0,0|2,0,0]=4 21823 B13R1.16 CCOCCc1cccc(c1Cl)Cl 34a_100121572206_100000723033 [0,2,0,0,0,0|2,0,0]=4 21824 B13R1.16 CCOCCc1cccc(c1Cl)Cl 7a_100011754357_100000210202 [0,2,0,0,0,0|2,0,0]=4 21825 B13R1.16 CCOCCc1cccc(c1F)Cl 34a_100011830271_100000210202 [0,2,0,0,0,0|2,0,0]=4 21826 B13R1.16 CCOCCc1cccc(c1F)Cl 7a_100011830271_100000210202 [0,2,0,0,0,0|2,0,0]=4 21827 B13R1.16 CCOCCc1cccc(c1F)F 34a_100000698707_100000210202 [0,2,0,0,0,0|2,0,0]=4 21828 B13R1.16 CCOCCc1cccc(c1F)F 7a_100000698707_100000210202 [0,2,0,0,0,0|2,0,0]=4 21829 B13R1.16 CCSCCc1cccc(c1Cl)Cl 62a_100000210202_100000723033 [0,2,0,0,0,0|2,0,0]=4 21830 B13R1.16 CCSCCc1cccc(c1Cl)Cl 62a_100000723033_100000210202 [0,2,0,0,0,0|2,0,0]=4 21831 B13R1.16 Cc1c(cccc1CCNCF)Br 34a_100161000114_100015361967 [0,2,0,0,0,0|2,0,0]=4 21832 B13R1.16 Cc1c(cccc1CNCCF)Br 34a_100000724210_100011217306 [0,2,0,0,0,0|2,0,0]=4 21833 B13R1.16 Cc1c(cccc1CNCCF)Br 34a_100000724931_100000694682 [0,2,0,0,0,0|2,0,0]=4 21834 B13R1.16 Cc1c(cccc1CNCCF)Cl 2230a_100020639605_100011217306 [0,2,0,0,0,0|2,0,0]=4 21835 B13R1.16 Cc1c(cccc1CNCCF)Cl 34a_100000724931_100012186920 [0,2,0,0,0,0|2,0,0]=4 21836 B13R1.16 Cc1c(cccc1CNCCF)Cl 34a_100020639605_100011217306 [0,2,0,0,0,0|2,0,0]=4 21837 B13R1.16 Cc1c(cccc1CNCCF)F 2230a_100132306986_100011217306 [0,2,0,0,0,0|2,0,0]=4 21838 B13R1.16 Cc1c(cccc1CNCCF)F 34a_100000724931_100009813626 [0,2,0,0,0,0|2,0,0]=4 21839 B13R1.16 Cc1c(cccc1CNCCF)F 34a_100132306986_100011217306 [0,2,0,0,0,0|2,0,0]=4 21840 B13R1.16 Cc1c(cccc1CNCCF)I 34a_100000724931_100010150147 [0,2,0,0,0,0|2,0,0]=4 21841 B13R1.16 Cc1c(cccc1CNCCO)Br 207a_100000210304_100012179384 [0,2,0,0,0,0|2,0,0]=4 21842 B13R1.16 Cc1c(cccc1CNCCO)Br 2230a_100016997473_100000694682 [0,2,0,0,0,0|2,0,0]=4 21843 B13R1.16 Cc1c(cccc1CNCCO)Br 270004a_100000210304_100012179384 [0,2,0,0,0,0|2,0,0]=4 21844 B13R1.16 Cc1c(cccc1CNCCO)Br 34a_100000724210_100000211926 [0,2,0,0,0,0|2,0,0]=4 21845 B13R1.16 Cc1c(cccc1CNCCO)Br 34a_100016990907_100000694682 [0,2,0,0,0,0|2,0,0]=4 21846 B13R1.16 Cc1c(cccc1CNCCO)Cl 207a_100000210304_100012002129 [0,2,0,0,0,0|2,0,0]=4 21847 B13R1.16 Cc1c(cccc1CNCCO)Cl 2230a_100016997473_100012186920 [0,2,0,0,0,0|2,0,0]=4 21848 B13R1.16 Cc1c(cccc1CNCCO)Cl 2230a_100020639605_100000211926 [0,2,0,0,0,0|2,0,0]=4 21849 B13R1.16 Cc1c(cccc1CNCCO)Cl 270004a_100000210304_100012002129 [0,2,0,0,0,0|2,0,0]=4 21850 B13R1.16 Cc1c(cccc1CNCCO)Cl 34a_100016990907_100012186920 [0,2,0,0,0,0|2,0,0]=4 21851 B13R1.16 Cc1c(cccc1CNCCO)Cl 34a_100020639605_100000211926 [0,2,0,0,0,0|2,0,0]=4 21852 B13R1.16 Cc1c(cccc1CNCCO)F 207a_100000210304_100000037668 [0,2,0,0,0,0|2,0,0]=4 21853 B13R1.16 Cc1c(cccc1CNCCO)F 2230a_100016997473_100009813626 [0,2,0,0,0,0|2,0,0]=4 21854 B13R1.16 Cc1c(cccc1CNCCO)F 2230a_100132306986_100000211926 [0,2,0,0,0,0|2,0,0]=4 21855 B13R1.16 Cc1c(cccc1CNCCO)F 270004a_100000210304_100000037668 [0,2,0,0,0,0|2,0,0]=4 21856 B13R1.16 Cc1c(cccc1CNCCO)F 34a_100016990907_100009813626 [0,2,0,0,0,0|2,0,0]=4 21857 B13R1.16 Cc1c(cccc1CNCCO)F 34a_100132306986_100000211926 [0,2,0,0,0,0|2,0,0]=4 21858 B13R1.16 Cc1c(cccc1CNCCO)I 2230a_100016997473_100010150147 [0,2,0,0,0,0|2,0,0]=4 21859 B13R1.16 Cc1c(cccc1CNCCO)I 34a_100016990907_100010150147 [0,2,0,0,0,0|2,0,0]=4 21860 B13R1.16 Cc1c(cccc1CNCCO)O 270004a_100000210304_100009868165 [0,2,0,0,0,0|2,0,0]=4 21861 B13R1.16 Cc1c(cccc1COCCBr)Br 34a_100000211926_100000694682 [0,2,0,0,0,0|2,0,0]=4 21862 B13R1.16 Cc1c(cccc1COCCBr)Cl 34a_100000211926_100012186920 [0,2,0,0,0,0|2,0,0]=4 21863 B13R1.16 Cc1c(cccc1COCCBr)F 34a_100000211926_100009813626 [0,2,0,0,0,0|2,0,0]=4 21864 B13R1.16 Cc1c(cccc1COCCBr)I 34a_100000211926_100010150147 [0,2,0,0,0,0|2,0,0]=4 21865 B13R1.16 Cc1c(cccc1COCCF)Br 34a_100000694458_100011217306 [0,2,0,0,0,0|2,0,0]=4 21866 B13R1.16 Cc1c(cccc1COCCF)Br 7a_100000694458_100011217306 [0,2,0,0,0,0|2,0,0]=4 21867 B13R1.16 Cc1c(cccc1COCCF)Cl 34a_100012000165_100011217306 [0,2,0,0,0,0|2,0,0]=4 21868 B13R1.16 Cc1c(cccc1COCCF)Cl 7a_100012000165_100011217306 [0,2,0,0,0,0|2,0,0]=4 21869 B13R1.16 Cc1c(cccc1COCCF)F 34a_100000042775_100011217306 [0,2,0,0,0,0|2,0,0]=4 21870 B13R1.16 Cc1c(cccc1COCCF)F 7a_100000042775_100011217306 [0,2,0,0,0,0|2,0,0]=4 21871 B13R1.16 Cc1c(cccc1COCCF)I 34a_100010150139_100011217306 [0,2,0,0,0,0|2,0,0]=4 21872 B13R1.16 Cc1c(cccc1COCCF)I 7a_100010150139_100011217306 [0,2,0,0,0,0|2,0,0]=4 21873 B13R1.16 Cc1c(cccc1COCCF)N 34a_102495339961_100011217306 [0,2,0,0,0,0|2,0,0]=4 21874 B13R1.16 Cc1c(cccc1COCCF)N 7a_102495339961_100011217306 [0,2,0,0,0,0|2,0,0]=4 21875 B13R1.16 Cc1c(cccc1COCCN)Br 34a_100000210304_100000694682 [0,2,0,0,0,0|1,0,0]=3 21876 B13R1.16 Cc1c(cccc1COCCN)Cl 34a_100000210304_100012186920 [0,2,0,0,0,0|1,0,0]=3 21877 B13R1.16 Cc1c(cccc1COCCN)F 34a_100000210304_100009813626 [0,2,0,0,0,0|1,0,0]=3 21878 B13R1.16 Cc1c(cccc1COCCN)I 34a_100000210304_100010150147 [0,2,0,0,0,0|1,0,0]=3 21879 B13R1.16 Cc1c(cccc1COCCO)Br 34a_100000694458_100000211926 [0,2,0,0,0,0|2,0,0]=4 21880 B13R1.16 Cc1c(cccc1COCCO)Br 7a_100000694458_100000211926 [0,2,0,0,0,0|2,0,0]=4 21881 B13R1.16 Cc1c(cccc1COCCO)Cl 34a_100012000165_100000211926 [0,2,0,0,0,0|2,0,0]=4 21882 B13R1.16 Cc1c(cccc1COCCO)Cl 7a_100012000165_100000211926 [0,2,0,0,0,0|2,0,0]=4 21883 B13R1.16 Cc1c(cccc1COCCO)F 34a_100000042775_100000211926 [0,2,0,0,0,0|2,0,0]=4 21884 B13R1.16 Cc1c(cccc1COCCO)F 7a_100000042775_100000211926 [0,2,0,0,0,0|2,0,0]=4 21885 B13R1.16 Cc1c(cccc1COCCO)I 34a_100010150139_100000211926 [0,2,0,0,0,0|2,0,0]=4 21886 B13R1.16 Cc1c(cccc1COCCO)I 7a_100010150139_100000211926 [0,2,0,0,0,0|2,0,0]=4 21887 B13R1.16 Cc1c(cccc1COCCO)N 34a_102495339961_100000211926 [0,2,0,0,0,0|2,0,0]=4 21888 B13R1.16 Cc1c(cccc1COCCO)N 7a_102495339961_100000211926 [0,2,0,0,0,0|2,0,0]=4 21889 B13R1.16 Cc1c(cccc1CSCCF)Br 62a_100000694682_100011217306 [0,2,0,0,0,0|2,0,0]=4 21890 B13R1.16 Cc1c(cccc1CSCCF)Br 62a_100011217306_100000694682 [0,2,0,0,0,0|2,0,0]=4 21891 B13R1.16 Cc1c(cccc1CSCCF)Cl 62a_100011217306_100012186920 [0,2,0,0,0,0|2,0,0]=4 21892 B13R1.16 Cc1c(cccc1CSCCF)Cl 62a_100012186920_100011217306 [0,2,0,0,0,0|2,0,0]=4 21893 B13R1.16 Cc1c(cccc1CSCCF)F 62a_100009813626_100011217306 [0,2,0,0,0,0|2,0,0]=4 21894 B13R1.16 Cc1c(cccc1CSCCF)F 62a_100011217306_100009813626 [0,2,0,0,0,0|2,0,0]=4 21895 B13R1.16 Cc1c(cccc1CSCCF)I 62a_100010150147_100011217306 [0,2,0,0,0,0|2,0,0]=4 21896 B13R1.16 Cc1c(cccc1CSCCF)I 62a_100011217306_100010150147 [0,2,0,0,0,0|2,0,0]=4 21897 B13R1.16 Cc1c(cccc1CSCCO)Br 62a_100000211926_100000694682 [0,2,0,0,0,0|2,0,0]=4 21898 B13R1.16 Cc1c(cccc1CSCCO)Br 62a_100000694682_100000211926 [0,2,0,0,0,0|2,0,0]=4 21899 B13R1.16 Cc1c(cccc1CSCCO)Cl 62a_100000211926_100012186920 [0,2,0,0,0,0|2,0,0]=4 21900 B13R1.16 Cc1c(cccc1CSCCO)Cl 62a_100012186920_100000211926 [0,2,0,0,0,0|2,0,0]=4 21901 B13R1.16 Cc1c(cccc1CSCCO)F 62a_100000211926_100009813626 [0,2,0,0,0,0|2,0,0]=4 21902 B13R1.16 Cc1c(cccc1CSCCO)F 62a_100009813626_100000211926 [0,2,0,0,0,0|2,0,0]=4 21903 B13R1.16 Cc1c(cccc1CSCCO)I 62a_100000211926_100010150147 [0,2,0,0,0,0|2,0,0]=4 21904 B13R1.16 Cc1c(cccc1CSCCO)I 62a_100010150147_100000211926 [0,2,0,0,0,0|2,0,0]=4 21905 B13R1.16 Cc1c(cccc1NCCCF)Br 34a_100000750434_100011934791 [0,2,0,0,0,0|2,0,0]=4 21906 B13R1.16 Cc1c(cccc1NCCCF)Cl 2230a_100000210441_100011934791 [0,2,0,0,0,0|2,0,0]=4 21907 B13R1.16 Cc1c(cccc1NCCCF)Cl 34a_100000210441_100011934791 [0,2,0,0,0,0|2,0,0]=4 21908 B13R1.16 Cc1c(cccc1NCCCF)Cl 7a_100000210441_100011934791 [0,2,0,0,0,0|2,0,0]=4 21909 B13R1.16 Cc1c(cccc1NCCCF)F 34a_100000745574_100011934791 [0,2,0,0,0,0|2,0,0]=4 21910 B13R1.16 Cc1c(cccc1NCCCF)F 7a_100000745574_100011934791 [0,2,0,0,0,0|2,0,0]=4 21911 B13R1.16 Cc1c(cccc1NCCCF)I 34a_100000761887_100011934791 [0,2,0,0,0,0|2,0,0]=4 21912 B13R1.16 Cc1c(cccc1NCCCF)O 34a_100011216573_100011934791 [0,2,0,0,0,0|2,0,0]=4 21913 B13R1.16 Cc1c(cccc1NCCCF)O 7a_100011216573_100011934791 [0,2,0,0,0,0|2,0,0]=4 21914 B13R1.16 Cc1c(cccc1NCCCO)Br 34a_100000750434_100000230001 [0,2,0,0,0,0|2,0,0]=4 21915 B13R1.16 Cc1c(cccc1NCCCO)Cl 2230a_100000210441_100000230001 [0,2,0,0,0,0|2,0,0]=4 21916 B13R1.16 Cc1c(cccc1NCCCO)Cl 34a_100000210441_100000230001 [0,2,0,0,0,0|2,0,0]=4 21917 B13R1.16 Cc1c(cccc1NCCCO)Cl 7a_100000210441_100011215043 [0,2,0,0,0,0|2,0,0]=4 21918 B13R1.16 Cc1c(cccc1NCCCO)F 34a_100000745574_100000230001 [0,2,0,0,0,0|2,0,0]=4 21919 B13R1.16 Cc1c(cccc1NCCCO)F 7a_100000745574_100011215043 [0,2,0,0,0,0|2,0,0]=4 21920 B13R1.16 Cc1c(cccc1NCCCO)I 34a_100000761887_100000230001 [0,2,0,0,0,0|2,0,0]=4 21921 B13R1.16 Cc1c(cccc1NCCCO)O 34a_100011216573_100000230001 [0,2,0,0,0,0|2,0,0]=4 21922 B13R1.16 Cc1c(cccc1NCCCO)O 7a_100011216573_100011215043 [0,2,0,0,0,0|2,0,0]=4 21923 B13R1.16 Cc1c(cccc1OCCCF)Br 34a_100012002258_100011934791 [0,2,0,0,0,0|2,0,0]=4 21924 B13R1.16 Cc1c(cccc1OCCCF)Br 7a_100012002258_100011934791 [0,2,0,0,0,0|2,0,0]=4 21925 B13R1.16 Cc1c(cccc1OCCCF)Cl 34a_100011265684_100011934791 [0,2,0,0,0,0|2,0,0]=4 21926 B13R1.16 Cc1c(cccc1OCCCF)Cl 7a_100011265684_100011934791 [0,2,0,0,0,0|2,0,0]=4 21927 B13R1.16 Cc1c(cccc1OCCCF)F 34a_100011217231_100011934791 [0,2,0,0,0,0|2,0,0]=4 21928 B13R1.16 Cc1c(cccc1OCCCF)F 7a_100011217231_100011934791 [0,2,0,0,0,0|2,0,0]=4 21929 B13R1.16 Cc1c(cccc1OCCCF)N 34a_100011216573_100011934791 [0,2,0,0,0,0|2,0,0]=4 21930 B13R1.16 Cc1c(cccc1OCCCF)N 7a_100011216573_100011934791 [0,2,0,0,0,0|2,0,0]=4 21931 B13R1.16 Cc1c(cccc1OCCCO)Br 34a_100012002258_100000230001 [0,2,0,0,0,0|2,0,0]=4 21932 B13R1.16 Cc1c(cccc1OCCCO)Br 7a_100012002258_100011215043 [0,2,0,0,0,0|2,0,0]=4 21933 B13R1.16 Cc1c(cccc1OCCCO)Cl 34a_100011265684_100000230001 [0,2,0,0,0,0|2,0,0]=4 21934 B13R1.16 Cc1c(cccc1OCCCO)Cl 7a_100011265684_100011215043 [0,2,0,0,0,0|2,0,0]=4 21935 B13R1.16 Cc1c(cccc1OCCCO)F 34a_100011217231_100000230001 [0,2,0,0,0,0|2,0,0]=4 21936 B13R1.16 Cc1c(cccc1OCCCO)F 7a_100011217231_100011215043 [0,2,0,0,0,0|2,0,0]=4 21937 B13R1.16 Cc1c(cccc1OCCCO)N 34a_100011216573_100000230001 [0,2,0,0,0,0|2,0,0]=4 21938 B13R1.16 Cc1c(cccc1OCCCO)N 7a_100011216573_100011215043 [0,2,0,0,0,0|2,0,0]=4 21939 B13R1.16 Cc1c(cccc1SCCCF)Br 62a_100011934791_100012353703 [0,2,0,0,0,0|2,0,0]=4 21940 B13R1.16 Cc1c(cccc1SCCCF)Br 62a_100012353703_100011934791 [0,2,0,0,0,0|2,0,0]=4 21941 B13R1.16 Cc1c(cccc1SCCCF)Cl 62a_100000726075_100011934791 [0,2,0,0,0,0|2,0,0]=4 21942 B13R1.16 Cc1c(cccc1SCCCF)Cl 62a_100011934791_100000726075 [0,2,0,0,0,0|2,0,0]=4 21943 B13R1.16 Cc1c(cccc1SCCCF)F 62a_100011216893_100011934791 [0,2,0,0,0,0|2,0,0]=4 21944 B13R1.16 Cc1c(cccc1SCCCF)F 62a_100011934791_100011216893 [0,2,0,0,0,0|2,0,0]=4 21945 B13R1.16 Cc1c(cccc1SCCCF)N 62a_100000761887_100011934791 [0,2,0,0,0,0|2,0,0]=4 21946 B13R1.16 Cc1c(cccc1SCCCF)N 62a_100011934791_100000761887 [0,2,0,0,0,0|2,0,0]=4 21947 B13R1.16 Cc1c(cccc1SCCCF)O 62a_100011934791_100012002258 [0,2,0,0,0,0|2,0,0]=4 21948 B13R1.16 Cc1c(cccc1SCCCF)O 62a_100012002258_100011934791 [0,2,0,0,0,0|2,0,0]=4 21949 B13R1.16 Cc1c(cccc1SCCCO)Br 62a_100011215043_100012353703 [0,2,0,0,0,0|2,0,0]=4 21950 B13R1.16 Cc1c(cccc1SCCCO)Br 62a_100012353703_100011215043 [0,2,0,0,0,0|2,0,0]=4 21951 B13R1.16 Cc1c(cccc1SCCCO)Cl 62a_100000726075_100011215043 [0,2,0,0,0,0|2,0,0]=4 21952 B13R1.16 Cc1c(cccc1SCCCO)Cl 62a_100011215043_100000726075 [0,2,0,0,0,0|2,0,0]=4 21953 B13R1.16 Cc1c(cccc1SCCCO)F 62a_100011215043_100011216893 [0,2,0,0,0,0|2,0,0]=4 21954 B13R1.16 Cc1c(cccc1SCCCO)F 62a_100011216893_100011215043 [0,2,0,0,0,0|2,0,0]=4 21955 B13R1.16 Cc1c(cccc1SCCCO)N 62a_100000761887_100011215043 [0,2,0,0,0,0|2,0,0]=4 21956 B13R1.16 Cc1c(cccc1SCCCO)N 62a_100011215043_100000761887 [0,2,0,0,0,0|2,0,0]=4 21957 B13R1.16 Cc1c(cccc1SCCCO)O 62a_100011215043_100012002258 [0,2,0,0,0,0|2,0,0]=4 21958 B13R1.16 Cc1c(cccc1SCCCO)O 62a_100012002258_100011215043 [0,2,0,0,0,0|2,0,0]=4 21959 B13R1.16 Cc1c(ccnc1COCCN)Cl 34a_100000210304_100020614443 [0,2,0,0,0,0|2,0,0]=4 21960 B13R1.16 Cc1cccc(c1Br)CNCCF 34a_100000724931_200012349612 [0,2,0,0,0,0|2,0,0]=4 21961 B13R1.16 Cc1cccc(c1Br)CNCCO 207a_100000210304_100012186367 [0,2,0,0,0,0|2,0,0]=4 21962 B13R1.16 Cc1cccc(c1Br)CNCCO 2230a_100016997473_200012349612 [0,2,0,0,0,0|2,0,0]=4 21963 B13R1.16 Cc1cccc(c1Br)CNCCO 270004a_100000210304_100012186367 [0,2,0,0,0,0|2,0,0]=4 21964 B13R1.16 Cc1cccc(c1Br)CNCCO 34a_100016990907_200012349612 [0,2,0,0,0,0|2,0,0]=4 21965 B13R1.16 Cc1cccc(c1Br)COCCBr 34a_100000211926_200012349612 [0,2,0,0,0,0|2,0,0]=4 21966 B13R1.16 Cc1cccc(c1Br)COCCF 34a_100011659289_100011217306 [0,2,0,0,0,0|2,0,0]=4 21967 B13R1.16 Cc1cccc(c1Br)COCCF 7a_100011659289_100011217306 [0,2,0,0,0,0|2,0,0]=4 21968 B13R1.16 Cc1cccc(c1Br)COCCN 34a_100000210304_200012349612 [0,2,0,0,0,0|1,0,0]=3 21969 B13R1.16 Cc1cccc(c1Br)COCCO 34a_100011659289_100000211926 [0,2,0,0,0,0|2,0,0]=4 21970 B13R1.16 Cc1cccc(c1Br)COCCO 7a_100011659289_100000211926 [0,2,0,0,0,0|2,0,0]=4 21971 B13R1.16 Cc1cccc(c1Br)CSCCF 62a_100011217306_200012349612 [0,2,0,0,0,0|2,0,0]=4 21972 B13R1.16 Cc1cccc(c1Br)CSCCF 62a_200012349612_100011217306 [0,2,0,0,0,0|2,0,0]=4 21973 B13R1.16 Cc1cccc(c1Br)CSCCO 62a_100000211926_200012349612 [0,2,0,0,0,0|2,0,0]=4 21974 B13R1.16 Cc1cccc(c1Br)CSCCO 62a_200012349612_100000211926 [0,2,0,0,0,0|2,0,0]=4 21975 B13R1.16 Cc1cccc(c1Br)NCCCF 34a_100000684715_100011934791 [0,2,0,0,0,0|2,0,0]=4 21976 B13R1.16 Cc1cccc(c1Br)NCCCO 34a_100000684715_100000230001 [0,2,0,0,0,0|2,0,0]=4 21977 B13R1.16 Cc1cccc(c1Br)OCCCF 34a_100000686692_100011934791 [0,2,0,0,0,0|2,0,0]=4 21978 B13R1.16 Cc1cccc(c1Br)OCCCF 7a_100000686692_100011934791 [0,2,0,0,0,0|2,0,0]=4 21979 B13R1.16 Cc1cccc(c1Br)OCCCO 34a_100000686692_100000230001 [0,2,0,0,0,0|2,0,0]=4 21980 B13R1.16 Cc1cccc(c1Br)OCCCO 7a_100000686692_100011215043 [0,2,0,0,0,0|2,0,0]=4 21981 B13R1.16 Cc1cccc(c1Br)SCCCF 62a_100011934791_100012362457 [0,2,0,0,0,0|2,0,0]=4 21982 B13R1.16 Cc1cccc(c1Br)SCCCF 62a_100012362457_100011934791 [0,2,0,0,0,0|2,0,0]=4 21983 B13R1.16 Cc1cccc(c1Br)SCCCO 62a_100011215043_100012362457 [0,2,0,0,0,0|2,0,0]=4 21984 B13R1.16 Cc1cccc(c1Br)SCCCO 62a_100012362457_100011215043 [0,2,0,0,0,0|2,0,0]=4 21985 B13R1.16 Cc1cccc(c1C)CNCCF 2230a_100011211637_100011217306 [0,2,0,0,0,0|2,0,0]=4 21986 B13R1.16 Cc1cccc(c1C)CNCCF 34a_100000724931_100011273979 [0,2,0,0,0,0|2,0,0]=4 21987 B13R1.16 Cc1cccc(c1C)CNCCF 34a_100011211637_100011217306 [0,2,0,0,0,0|2,0,0]=4 21988 B13R1.16 Cc1cccc(c1C)CNCCO 207a_100000210304_100000229941 [0,2,0,0,0,0|2,0,0]=4 21989 B13R1.16 Cc1cccc(c1C)CNCCO 2230a_100011211637_100000211926 [0,2,0,0,0,0|2,0,0]=4 21990 B13R1.16 Cc1cccc(c1C)CNCCO 2230a_100016997473_100011515928 [0,2,0,0,0,0|2,0,0]=4 21991 B13R1.16 Cc1cccc(c1C)CNCCO 270004a_100000210304_100000229941 [0,2,0,0,0,0|2,0,0]=4 21992 B13R1.16 Cc1cccc(c1C)CNCCO 34a_100011211637_100000211926 [0,2,0,0,0,0|2,0,0]=4 21993 B13R1.16 Cc1cccc(c1C)CNCCO 34a_100016990907_100011273979 [0,2,0,0,0,0|2,0,0]=4 21994 B13R1.16 Cc1cccc(c1C)COCCBr 34a_100000211926_100011273979 [0,2,0,0,0,0|2,0,0]=4 21995 B13R1.16 Cc1cccc(c1C)COCCF 34a_100011219135_100011217306 [0,2,0,0,0,0|2,0,0]=4 21996 B13R1.16 Cc1cccc(c1C)COCCF 7a_100011219135_100011217306 [0,2,0,0,0,0|2,0,0]=4 21997 B13R1.16 Cc1cccc(c1C)COCCN 34a_100000210304_100011273979 [0,2,0,0,0,0|1,0,0]=3 21998 B13R1.16 Cc1cccc(c1C)COCCO 34a_100011219135_100000211926 [0,2,0,0,0,0|2,0,0]=4 21999 B13R1.16 Cc1cccc(c1C)COCCO 7a_100011219135_100000211926 [0,2,0,0,0,0|2,0,0]=4 22000 B13R1.16 Cc1cccc(c1C)CSCCF 62a_100011217306_100011515928 [0,2,0,0,0,0|2,0,0]=4 22001 B13R1.16 Cc1cccc(c1C)CSCCF 62a_100011515928_100011217306 [0,2,0,0,0,0|2,0,0]=4 22002 B13R1.16 Cc1cccc(c1C)CSCCO 62a_100000211926_100011515928 [0,2,0,0,0,0|2,0,0]=4 22003 B13R1.16 Cc1cccc(c1C)CSCCO 62a_100011515928_100000211926 [0,2,0,0,0,0|2,0,0]=4 22004 B13R1.16 Cc1cccc(c1C)NCCCF 2230a_100000210026_100011934791 [0,2,0,0,0,0|2,0,0]=4 22005 B13R1.16 Cc1cccc(c1C)NCCCF 34a_100000210026_100011934791 [0,2,0,0,0,0|2,0,0]=4 22006 B13R1.16 Cc1cccc(c1C)NCCCF 7a_100000210026_100011934791 [0,2,0,0,0,0|2,0,0]=4 22007 B13R1.16 Cc1cccc(c1C)NCCCO 2230a_100000210026_100000230001 [0,2,0,0,0,0|2,0,0]=4 22008 B13R1.16 Cc1cccc(c1C)NCCCO 34a_100000210026_100000230001 [0,2,0,0,0,0|2,0,0]=4 22009 B13R1.16 Cc1cccc(c1C)NCCCO 7a_100000210026_100011215043 [0,2,0,0,0,0|2,0,0]=4 22010 B13R1.16 Cc1cccc(c1C)OCCCF 34a_100000185855_100011934791 [0,2,0,0,0,0|2,0,0]=4 22011 B13R1.16 Cc1cccc(c1C)OCCCF 7a_100000185855_100011934791 [0,2,0,0,0,0|2,0,0]=4 22012 B13R1.16 Cc1cccc(c1C)OCCCO 34a_100000185855_100000230001 [0,2,0,0,0,0|2,0,0]=4 22013 B13R1.16 Cc1cccc(c1C)OCCCO 7a_100000185855_100011215043 [0,2,0,0,0,0|2,0,0]=4 22014 B13R1.16 Cc1cccc(c1C)SCCCF 62a_100011214922_100011934791 [0,2,0,0,0,0|2,0,0]=4 22015 B13R1.16 Cc1cccc(c1C)SCCCF 62a_100011934791_100011214922 [0,2,0,0,0,0|2,0,0]=4 22016 B13R1.16 Cc1cccc(c1C)SCCCO 62a_100011214922_100011215043 [0,2,0,0,0,0|2,0,0]=4 22017 B13R1.16 Cc1cccc(c1C)SCCCO 62a_100011215043_100011214922 [0,2,0,0,0,0|2,0,0]=4 22018 B13R1.16 Cc1cccc(c1Cl)CNCCF 2230a_100025705714_100011217306 [0,2,0,0,0,0|2,0,0]=4 22019 B13R1.16 Cc1cccc(c1Cl)CNCCF 34a_100025705714_100011217306 [0,2,0,0,0,0|2,0,0]=4 22020 B13R1.16 Cc1cccc(c1Cl)CNCCO 207a_100000210304_100012017286 [0,2,0,0,0,0|2,0,0]=4 22021 B13R1.16 Cc1cccc(c1Cl)CNCCO 2230a_100025705714_100000211926 [0,2,0,0,0,0|2,0,0]=4 22022 B13R1.16 Cc1cccc(c1Cl)CNCCO 270004a_100000210304_100012017286 [0,2,0,0,0,0|2,0,0]=4 22023 B13R1.16 Cc1cccc(c1Cl)CNCCO 34a_100025705714_100000211926 [0,2,0,0,0,0|2,0,0]=4 22024 B13R1.16 Cc1cccc(c1Cl)COCCF 34a_100000710031_100011217306 [0,2,0,0,0,0|2,0,0]=4 22025 B13R1.16 Cc1cccc(c1Cl)COCCF 7a_100000710031_100011217306 [0,2,0,0,0,0|2,0,0]=4 22026 B13R1.16 Cc1cccc(c1Cl)COCCO 34a_100000710031_100000211926 [0,2,0,0,0,0|2,0,0]=4 22027 B13R1.16 Cc1cccc(c1Cl)COCCO 7a_100000710031_100000211926 [0,2,0,0,0,0|2,0,0]=4 22028 B13R1.16 Cc1cccc(c1Cl)NCCCF 34a_100000765562_100011934791 [0,2,0,0,0,0|2,0,0]=4 22029 B13R1.16 Cc1cccc(c1Cl)NCCCF 7a_100000765562_100011934791 [0,2,0,0,0,0|2,0,0]=4 22030 B13R1.16 Cc1cccc(c1Cl)NCCCO 34a_100000765562_100000230001 [0,2,0,0,0,0|2,0,0]=4 22031 B13R1.16 Cc1cccc(c1Cl)NCCCO 7a_100000765562_100011215043 [0,2,0,0,0,0|2,0,0]=4 22032 B13R1.16 Cc1cccc(c1Cl)OCCCF 34a_100000695629_100011934791 [0,2,0,0,0,0|2,0,0]=4 22033 B13R1.16 Cc1cccc(c1Cl)OCCCF 7a_100000695629_100011934791 [0,2,0,0,0,0|2,0,0]=4 22034 B13R1.16 Cc1cccc(c1Cl)OCCCO 34a_100000695629_100000230001 [0,2,0,0,0,0|2,0,0]=4 22035 B13R1.16 Cc1cccc(c1Cl)OCCCO 7a_100000695629_100011215043 [0,2,0,0,0,0|2,0,0]=4 22036 B13R1.16 Cc1cccc(c1Cl)SCCCF 62a_100011934791_200012352035 [0,2,0,0,0,0|2,0,0]=4 22037 B13R1.16 Cc1cccc(c1Cl)SCCCF 62a_200012352035_100011934791 [0,2,0,0,0,0|2,0,0]=4 22038 B13R1.16 Cc1cccc(c1Cl)SCCCO 62a_100011215043_200012352035 [0,2,0,0,0,0|2,0,0]=4 22039 B13R1.16 Cc1cccc(c1Cl)SCCCO 62a_200012352035_100011215043 [0,2,0,0,0,0|2,0,0]=4 22040 B13R1.16 Cc1cccc(c1F)CNCCF 2230a_100012002060_100011217306 [0,2,0,0,0,0|2,0,0]=4 22041 B13R1.16 Cc1cccc(c1F)CNCCF 34a_100000724931_100011216058 [0,2,0,0,0,0|2,0,0]=4 22042 B13R1.16 Cc1cccc(c1F)CNCCF 34a_100012002060_100011217306 [0,2,0,0,0,0|2,0,0]=4 22043 B13R1.16 Cc1cccc(c1F)CNCCO 207a_100000210304_100011219516 [0,2,0,0,0,0|2,0,0]=4 22044 B13R1.16 Cc1cccc(c1F)CNCCO 2230a_100012002060_100000211926 [0,2,0,0,0,0|2,0,0]=4 22045 B13R1.16 Cc1cccc(c1F)CNCCO 2230a_100016997473_100011216058 [0,2,0,0,0,0|2,0,0]=4 22046 B13R1.16 Cc1cccc(c1F)CNCCO 270004a_100000210304_100011219516 [0,2,0,0,0,0|2,0,0]=4 22047 B13R1.16 Cc1cccc(c1F)CNCCO 34a_100012002060_100000211926 [0,2,0,0,0,0|2,0,0]=4 22048 B13R1.16 Cc1cccc(c1F)CNCCO 34a_100016990907_100011216058 [0,2,0,0,0,0|2,0,0]=4 22049 B13R1.16 Cc1cccc(c1F)COCCBr 34a_100000211926_100011216058 [0,2,0,0,0,0|2,0,0]=4 22050 B13R1.16 Cc1cccc(c1F)COCCF 34a_200011219517_100011217306 [0,2,0,0,0,0|2,0,0]=4 22051 B13R1.16 Cc1cccc(c1F)COCCF 7a_200011219517_100011217306 [0,2,0,0,0,0|2,0,0]=4 22052 B13R1.16 Cc1cccc(c1F)COCCN 34a_100000210304_100011216058 [0,2,0,0,0,0|1,0,0]=3 22053 B13R1.16 Cc1cccc(c1F)COCCO 34a_200011219517_100000211926 [0,2,0,0,0,0|2,0,0]=4 22054 B13R1.16 Cc1cccc(c1F)COCCO 7a_200011219517_100000211926 [0,2,0,0,0,0|2,0,0]=4 22055 B13R1.16 Cc1cccc(c1F)CSCCF 62a_100011216058_100011217306 [0,2,0,0,0,0|2,0,0]=4 22056 B13R1.16 Cc1cccc(c1F)CSCCF 62a_100011217306_100011216058 [0,2,0,0,0,0|2,0,0]=4 22057 B13R1.16 Cc1cccc(c1F)CSCCO 62a_100000211926_100011216058 [0,2,0,0,0,0|2,0,0]=4 22058 B13R1.16 Cc1cccc(c1F)CSCCO 62a_100011216058_100000211926 [0,2,0,0,0,0|2,0,0]=4 22059 B13R1.16 Cc1cccc(c1F)NCCCF 2230a_100000697159_100011934791 [0,2,0,0,0,0|2,0,0]=4 22060 B13R1.16 Cc1cccc(c1F)NCCCF 34a_100000697159_100011934791 [0,2,0,0,0,0|2,0,0]=4 22061 B13R1.16 Cc1cccc(c1F)NCCCF 7a_100000697159_100011934791 [0,2,0,0,0,0|2,0,0]=4 22062 B13R1.16 Cc1cccc(c1F)NCCCO 2230a_100000697159_100000230001 [0,2,0,0,0,0|2,0,0]=4 22063 B13R1.16 Cc1cccc(c1F)NCCCO 34a_100000697159_100000230001 [0,2,0,0,0,0|2,0,0]=4 22064 B13R1.16 Cc1cccc(c1F)NCCCO 7a_100000697159_100011215043 [0,2,0,0,0,0|2,0,0]=4 22065 B13R1.16 Cc1cccc(c1F)OCCCF 34a_100000751311_100011934791 [0,2,0,0,0,0|2,0,0]=4 22066 B13R1.16 Cc1cccc(c1F)OCCCF 7a_100000751311_100011934791 [0,2,0,0,0,0|2,0,0]=4 22067 B13R1.16 Cc1cccc(c1F)OCCCO 34a_100000751311_100000230001 [0,2,0,0,0,0|2,0,0]=4 22068 B13R1.16 Cc1cccc(c1F)OCCCO 7a_100000751311_100011215043 [0,2,0,0,0,0|2,0,0]=4 22069 B13R1.16 Cc1cccc(c1F)SCCCF 62a_100000717567_100011934791 [0,2,0,0,0,0|2,0,0]=4 22070 B13R1.16 Cc1cccc(c1F)SCCCF 62a_100011934791_100000717567 [0,2,0,0,0,0|2,0,0]=4 22071 B13R1.16 Cc1cccc(c1F)SCCCO 62a_100000717567_100011215043 [0,2,0,0,0,0|2,0,0]=4 22072 B13R1.16 Cc1cccc(c1F)SCCCO 62a_100011215043_100000717567 [0,2,0,0,0,0|2,0,0]=4 22073 B13R1.16 Cc1cccc(c1I)COCCF 34a_100012349780_100011217306 [0,2,0,0,0,0|2,0,0]=4 22074 B13R1.16 Cc1cccc(c1I)COCCF 7a_100012349780_100011217306 [0,2,0,0,0,0|2,0,0]=4 22075 B13R1.16 Cc1cccc(c1I)COCCO 34a_100012349780_100000211926 [0,2,0,0,0,0|2,0,0]=4 22076 B13R1.16 Cc1cccc(c1I)COCCO 7a_100012349780_100000211926 [0,2,0,0,0,0|2,0,0]=4 22077 B13R1.16 Cc1cccc(c1I)NCCCF 34a_100000761888_100011934791 [0,2,0,0,0,0|2,0,0]=4 22078 B13R1.16 Cc1cccc(c1I)NCCCO 34a_100000761888_100000230001 [0,2,0,0,0,0|2,0,0]=4 22079 B13R1.16 Cc1cccc(c1I)OCCCF 34a_100010083724_100011934791 [0,2,0,0,0,0|2,0,0]=4 22080 B13R1.16 Cc1cccc(c1I)OCCCF 7a_100010083724_100011934791 [0,2,0,0,0,0|2,0,0]=4 22081 B13R1.16 Cc1cccc(c1I)OCCCO 34a_100010083724_100000230001 [0,2,0,0,0,0|2,0,0]=4 22082 B13R1.16 Cc1cccc(c1I)OCCCO 7a_100010083724_100011215043 [0,2,0,0,0,0|2,0,0]=4 22083 B13R1.16 Cc1cccc(c1N)COCCF 34a_100011215590_100011217306 [0,2,0,0,0,0|2,0,0]=4 22084 B13R1.16 Cc1cccc(c1N)COCCO 34a_100011215590_100000211926 [0,2,0,0,0,0|2,0,0]=4 22085 B13R1.16 Cc1cccc(c1N)OCCCF 34a_100000743429_100011934791 [0,2,0,0,0,0|2,0,0]=4 22086 B13R1.16 Cc1cccc(c1N)OCCCF 7a_100000743429_100011934791 [0,2,0,0,0,0|2,0,0]=4 22087 B13R1.16 Cc1cccc(c1N)OCCCO 34a_100000743429_100000230001 [0,2,0,0,0,0|2,0,0]=4 22088 B13R1.16 Cc1cccc(c1N)OCCCO 7a_100000743429_100011215043 [0,2,0,0,0,0|2,0,0]=4 22089 B13R1.16 Cc1cccc(c1N)SCCCF 62a_100011834072_100011934791 [0,2,0,0,0,0|2,0,0]=4 22090 B13R1.16 Cc1cccc(c1N)SCCCF 62a_100011934791_100011834072 [0,2,0,0,0,0|2,0,0]=4 22091 B13R1.16 Cc1cccc(c1N)SCCCO 62a_100011215043_100011834072 [0,2,0,0,0,0|2,0,0]=4 22092 B13R1.16 Cc1cccc(c1N)SCCCO 62a_100011834072_100011215043 [0,2,0,0,0,0|2,0,0]=4 22093 B13R1.16 Cc1cccc(c1O)CNCCF 34a_100020639391_100011217306 [0,2,0,0,0,0|2,0,0]=4 22094 B13R1.16 Cc1cccc(c1O)CNCCO 34a_100020639391_100000211926 [0,2,0,0,0,0|2,0,0]=4 22095 B13R1.16 Cc1cccc(c1O)NCCCF 34a_100000756359_100011934791 [0,2,0,0,0,0|2,0,0]=4 22096 B13R1.16 Cc1cccc(c1O)NCCCO 34a_100000756359_100000230001 [0,2,0,0,0,0|2,0,0]=4 22097 B13R1.16 Cc1cccc(c1O)SCCCF 62a_100009817157_100011934791 [0,2,0,0,0,0|2,0,0]=4 22098 B13R1.16 Cc1cccc(c1O)SCCCF 62a_100011934791_100009817157 [0,2,0,0,0,0|2,0,0]=4 22099 B13R1.16 Cc1cccc(c1O)SCCCO 62a_100009817157_100011215043 [0,2,0,0,0,0|2,0,0]=4 22100 B13R1.16 Cc1cccc(c1O)SCCCO 62a_100011215043_100009817157 [0,2,0,0,0,0|2,0,0]=4 22101 B13R1.16 Clc1c(cccc1COCCBr)Br 34a_100000211926_100012349491 [0,2,0,0,0,0|2,0,0]=4 22102 B13R1.16 Clc1cccc(c1Br)COCCBr 34a_100000211926_100010145525 [0,2,0,0,0,0|2,0,0]=4 22103 B13R1.16 Clc1cccc(c1Cl)COCCBr 34a_100000211926_100000723366 [0,2,0,0,0,0|2,0,0]=4 22104 B13R1.16 FCCCNc1cccc(c1Br)Cl 34a_100000687072_100011934791 [0,2,0,0,0,0|2,0,0]=4 22105 B13R1.16 FCCCNc1cccc(c1Br)F 34a_100011934729_100011934791 [0,2,0,0,0,0|2,0,0]=4 22106 B13R1.16 FCCCNc1cccc(c1Cl)Br 34a_100000687075_100011934791 [0,2,0,0,0,0|2,0,0]=4 22107 B13R1.16 FCCCNc1cccc(c1Cl)Cl 34a_100000185733_100011934791 [0,2,0,0,0,0|2,0,0]=4 22108 B13R1.16 FCCCNc1cccc(c1Cl)F 34a_100000692321_100011934791 [0,2,0,0,0,0|2,0,0]=4 22109 B13R1.16 FCCCNc1cccc(c1F)Br 2230a_100011935091_100011934791 [0,2,0,0,0,0|2,0,0]=4 22110 B13R1.16 FCCCNc1cccc(c1F)Br 34a_100011935091_100011934791 [0,2,0,0,0,0|2,0,0]=4 22111 B13R1.16 FCCCNc1cccc(c1F)Cl 2230a_100000199060_100011934791 [0,2,0,0,0,0|2,0,0]=4 22112 B13R1.16 FCCCNc1cccc(c1F)Cl 34a_100000199060_100011934791 [0,2,0,0,0,0|2,0,0]=4 22113 B13R1.16 FCCCNc1cccc(c1F)F 34a_100000743855_100011934791 [0,2,0,0,0,0|2,0,0]=4 22114 B13R1.16 FCCCNc1cccc(c1I)Br 34a_100020590159_100011934791 [0,2,0,0,0,0|2,0,0]=4 22115 B13R1.16 FCCCNc1cccc(c1I)Cl 34a_100000049713_100011934791 [0,2,0,0,0,0|2,0,0]=4 22116 B13R1.16 FCCCNc1cccc(c1I)F 34a_100000690935_100011934791 [0,2,0,0,0,0|2,0,0]=4 22117 B13R1.16 FCCCOc1cccc(c1Br)Br 34a_100010187966_100011934791 [0,2,0,0,0,0|2,0,0]=4 22118 B13R1.16 FCCCOc1cccc(c1Br)Br 7a_100010187966_100011934791 [0,2,0,0,0,0|2,0,0]=4 22119 B13R1.16 FCCCOc1cccc(c1Br)Cl 34a_100012348804_100011934791 [0,2,0,0,0,0|2,0,0]=4 22120 B13R1.16 FCCCOc1cccc(c1Br)Cl 7a_100012348804_100011934791 [0,2,0,0,0,0|2,0,0]=4 22121 B13R1.16 FCCCOc1cccc(c1Br)F 34a_100009820682_100011934791 [0,2,0,0,0,0|2,0,0]=4 22122 B13R1.16 FCCCOc1cccc(c1Br)F 7a_100009820682_100011934791 [0,2,0,0,0,0|2,0,0]=4 22123 B13R1.16 FCCCOc1cccc(c1Br)I 34a_100010187914_100011934791 [0,2,0,0,0,0|2,0,0]=4 22124 B13R1.16 FCCCOc1cccc(c1Br)I 7a_100010187914_100011934791 [0,2,0,0,0,0|2,0,0]=4 22125 B13R1.16 FCCCOc1cccc(c1Cl)Br 34a_100010187913_100011934791 [0,2,0,0,0,0|2,0,0]=4 22126 B13R1.16 FCCCOc1cccc(c1Cl)Br 7a_100010187913_100011934791 [0,2,0,0,0,0|2,0,0]=4 22127 B13R1.16 FCCCOc1cccc(c1Cl)Cl 34a_100000211076_100011934791 [0,2,0,0,0,0|2,0,0]=4 22128 B13R1.16 FCCCOc1cccc(c1Cl)Cl 7a_100000211076_100011934791 [0,2,0,0,0,0|2,0,0]=4 22129 B13R1.16 FCCCOc1cccc(c1Cl)F 34a_100000087408_100011934791 [0,2,0,0,0,0|2,0,0]=4 22130 B13R1.16 FCCCOc1cccc(c1Cl)F 7a_100000087408_100011934791 [0,2,0,0,0,0|2,0,0]=4 22131 B13R1.16 FCCCOc1cccc(c1Cl)I 34a_100000049636_100011934791 [0,2,0,0,0,0|2,0,0]=4 22132 B13R1.16 FCCCOc1cccc(c1Cl)I 7a_100000049636_100011934791 [0,2,0,0,0,0|2,0,0]=4 22133 B13R1.16 FCCCOc1cccc(c1F)Br 34a_100009817021_100011934791 [0,2,0,0,0,0|2,0,0]=4 22134 B13R1.16 FCCCOc1cccc(c1F)Br 7a_100009817021_100011934791 [0,2,0,0,0,0|2,0,0]=4 22135 B13R1.16 FCCCOc1cccc(c1F)Cl 34a_100000687438_100011934791 [0,2,0,0,0,0|2,0,0]=4 22136 B13R1.16 FCCCOc1cccc(c1F)Cl 7a_100000687438_100011934791 [0,2,0,0,0,0|2,0,0]=4 22137 B13R1.16 FCCCOc1cccc(c1F)F 34a_100000751161_100011934791 [0,2,0,0,0,0|2,0,0]=4 22138 B13R1.16 FCCCOc1cccc(c1F)F 7a_100000751161_100011934791 [0,2,0,0,0,0|2,0,0]=4 22139 B13R1.16 FCCCOc1cccc(c1I)Br 34a_100010187912_100011934791 [0,2,0,0,0,0|2,0,0]=4 22140 B13R1.16 FCCCOc1cccc(c1I)Br 7a_100010187912_100011934791 [0,2,0,0,0,0|2,0,0]=4 22141 B13R1.16 FCCCOc1cccc(c1I)Cl 34a_100000050174_100011934791 [0,2,0,0,0,0|2,0,0]=4 22142 B13R1.16 FCCCOc1cccc(c1I)Cl 7a_100000050174_100011934791 [0,2,0,0,0,0|2,0,0]=4 22143 B13R1.16 FCCCOc1cccc(c1I)F 34a_100000690913_100011934791 [0,2,0,0,0,0|2,0,0]=4 22144 B13R1.16 FCCCOc1cccc(c1I)F 7a_100000690913_100011934791 [0,2,0,0,0,0|2,0,0]=4 22145 B13R1.16 FCCCSc1cccc(c1Br)Br 62a_100010175083_100011934791 [0,2,0,0,0,0|2,0,0]=4 22146 B13R1.16 FCCCSc1cccc(c1Br)Br 62a_100011934791_100010175083 [0,2,0,0,0,0|2,0,0]=4 22147 B13R1.16 FCCCSc1cccc(c1Br)Cl 62a_100011934791_100014021842 [0,2,0,0,0,0|2,0,0]=4 22148 B13R1.16 FCCCSc1cccc(c1Br)Cl 62a_100014021842_100011934791 [0,2,0,0,0,0|2,0,0]=4 22149 B13R1.16 FCCCSc1cccc(c1Br)F 62a_100010202630_100011934791 [0,2,0,0,0,0|2,0,0]=4 22150 B13R1.16 FCCCSc1cccc(c1Br)F 62a_100011934791_100010202630 [0,2,0,0,0,0|2,0,0]=4 22151 B13R1.16 FCCCSc1cccc(c1Cl)Br 62a_100010142854_100011934791 [0,2,0,0,0,0|2,0,0]=4 22152 B13R1.16 FCCCSc1cccc(c1Cl)Br 62a_100011934791_100010142854 [0,2,0,0,0,0|2,0,0]=4 22153 B13R1.16 FCCCSc1cccc(c1Cl)Cl 62a_100011215384_100011934791 [0,2,0,0,0,0|2,0,0]=4 22154 B13R1.16 FCCCSc1cccc(c1Cl)Cl 62a_100011934791_100011215384 [0,2,0,0,0,0|2,0,0]=4 22155 B13R1.16 FCCCSc1cccc(c1Cl)F 62a_100011934791_200010234923 [0,2,0,0,0,0|2,0,0]=4 22156 B13R1.16 FCCCSc1cccc(c1Cl)F 62a_200010234923_100011934791 [0,2,0,0,0,0|2,0,0]=4 22157 B13R1.16 FCCCSc1cccc(c1F)Br 62a_100000702267_100011934791 [0,2,0,0,0,0|2,0,0]=4 22158 B13R1.16 FCCCSc1cccc(c1F)Br 62a_100011934791_100000702267 [0,2,0,0,0,0|2,0,0]=4 22159 B13R1.16 FCCCSc1cccc(c1F)Cl 62a_100011217346_100011934791 [0,2,0,0,0,0|2,0,0]=4 22160 B13R1.16 FCCCSc1cccc(c1F)Cl 62a_100011934791_100011217346 [0,2,0,0,0,0|2,0,0]=4 22161 B13R1.16 FCCCSc1cccc(c1F)F 62a_100000694657_100011934791 [0,2,0,0,0,0|2,0,0]=4 22162 B13R1.16 FCCCSc1cccc(c1F)F 62a_100011934791_100000694657 [0,2,0,0,0,0|2,0,0]=4 22163 B13R1.16 FCCNCc1cccc(c1Br)Cl 34a_100000724931_100010145525 [0,2,0,0,0,0|2,0,0]=4 22164 B13R1.16 FCCNCc1cccc(c1Br)F 2230a_100020638964_100011217306 [0,2,0,0,0,0|2,0,0]=4 22165 B13R1.16 FCCNCc1cccc(c1Br)F 34a_100000724931_100012351116 [0,2,0,0,0,0|2,0,0]=4 22166 B13R1.16 FCCNCc1cccc(c1Br)F 34a_100020638964_100011217306 [0,2,0,0,0,0|2,0,0]=4 22167 B13R1.16 FCCNCc1cccc(c1Br)I 34a_100000724931_100010254545 [0,2,0,0,0,0|2,0,0]=4 22168 B13R1.16 FCCNCc1cccc(c1Cl)Br 34a_100000724931_100012349491 [0,2,0,0,0,0|2,0,0]=4 22169 B13R1.16 FCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100011217306 [0,2,0,0,0,0|2,0,0]=4 22170 B13R1.16 FCCNCc1cccc(c1Cl)Cl 34a_100000724931_100000723366 [0,2,0,0,0,0|2,0,0]=4 22171 B13R1.16 FCCNCc1cccc(c1Cl)Cl 34a_100011211633_100011217306 [0,2,0,0,0,0|2,0,0]=4 22172 B13R1.16 FCCNCc1cccc(c1Cl)F 2230a_100012001614_100011217306 [0,2,0,0,0,0|2,0,0]=4 22173 B13R1.16 FCCNCc1cccc(c1Cl)F 34a_100000724931_100000696688 [0,2,0,0,0,0|2,0,0]=4 22174 B13R1.16 FCCNCc1cccc(c1Cl)F 34a_100012001614_100011217306 [0,2,0,0,0,0|2,0,0]=4 22175 B13R1.16 FCCNCc1cccc(c1F)Br 2230a_100015189953_100011217306 [0,2,0,0,0,0|2,0,0]=4 22176 B13R1.16 FCCNCc1cccc(c1F)Br 34a_100000724931_100012356506 [0,2,0,0,0,0|2,0,0]=4 22177 B13R1.16 FCCNCc1cccc(c1F)Br 34a_100015189953_100011217306 [0,2,0,0,0,0|2,0,0]=4 22178 B13R1.16 FCCNCc1cccc(c1F)Cl 2230a_100000764326_100011217306 [0,2,0,0,0,0|2,0,0]=4 22179 B13R1.16 FCCNCc1cccc(c1F)Cl 34a_100000724931_100000716733 [0,2,0,0,0,0|2,0,0]=4 22180 B13R1.16 FCCNCc1cccc(c1F)Cl 34a_100000764326_100011217306 [0,2,0,0,0,0|2,0,0]=4 22181 B13R1.16 FCCNCc1cccc(c1F)F 2230a_100011199105_100011217306 [0,2,0,0,0,0|2,0,0]=4 22182 B13R1.16 FCCNCc1cccc(c1F)F 34a_100000724931_100000217499 [0,2,0,0,0,0|2,0,0]=4 22183 B13R1.16 FCCNCc1cccc(c1F)F 34a_100011199105_100011217306 [0,2,0,0,0,0|2,0,0]=4 22184 B13R1.16 FCCNCc1cccc(c1I)F 34a_100000724931_100010149603 [0,2,0,0,0,0|2,0,0]=4 22185 B13R1.16 FCCOCc1cccc(c1Br)Cl 34a_100010168166_100011217306 [0,2,0,0,0,0|2,0,0]=4 22186 B13R1.16 FCCOCc1cccc(c1Br)Cl 7a_100010168166_100011217306 [0,2,0,0,0,0|2,0,0]=4 22187 B13R1.16 FCCOCc1cccc(c1Br)F 34a_100012351117_100011217306 [0,2,0,0,0,0|2,0,0]=4 22188 B13R1.16 FCCOCc1cccc(c1Br)F 7a_100012351117_100011217306 [0,2,0,0,0,0|2,0,0]=4 22189 B13R1.16 FCCOCc1cccc(c1Br)I 34a_100010240205_100011217306 [0,2,0,0,0,0|2,0,0]=4 22190 B13R1.16 FCCOCc1cccc(c1Br)I 7a_100010240205_100011217306 [0,2,0,0,0,0|2,0,0]=4 22191 B13R1.16 FCCOCc1cccc(c1Cl)Br 34a_100012351182_100011217306 [0,2,0,0,0,0|2,0,0]=4 22192 B13R1.16 FCCOCc1cccc(c1Cl)Br 7a_100012351182_100011217306 [0,2,0,0,0,0|2,0,0]=4 22193 B13R1.16 FCCOCc1cccc(c1Cl)Cl 34a_100000720469_100011217306 [0,2,0,0,0,0|2,0,0]=4 22194 B13R1.16 FCCOCc1cccc(c1Cl)Cl 7a_100000720469_100011217306 [0,2,0,0,0,0|2,0,0]=4 22195 B13R1.16 FCCOCc1cccc(c1Cl)F 34a_100000696319_100011217306 [0,2,0,0,0,0|2,0,0]=4 22196 B13R1.16 FCCOCc1cccc(c1Cl)F 7a_100000696319_100011217306 [0,2,0,0,0,0|2,0,0]=4 22197 B13R1.16 FCCOCc1cccc(c1F)Br 34a_100011935076_100011217306 [0,2,0,0,0,0|2,0,0]=4 22198 B13R1.16 FCCOCc1cccc(c1F)Br 7a_100011935076_100011217306 [0,2,0,0,0,0|2,0,0]=4 22199 B13R1.16 FCCOCc1cccc(c1F)Cl 34a_100011216988_100011217306 [0,2,0,0,0,0|2,0,0]=4 22200 B13R1.16 FCCOCc1cccc(c1F)Cl 7a_100011216988_100011217306 [0,2,0,0,0,0|2,0,0]=4 22201 B13R1.16 FCCOCc1cccc(c1F)F 34a_100011218644_100011217306 [0,2,0,0,0,0|2,0,0]=4 22202 B13R1.16 FCCOCc1cccc(c1F)F 7a_100011218644_100011217306 [0,2,0,0,0,0|2,0,0]=4 22203 B13R1.16 FCCOCc1cccc(c1F)I 34a_200010235739_100011217306 [0,2,0,0,0,0|2,0,0]=4 22204 B13R1.16 FCCOCc1cccc(c1F)I 7a_200010235739_100011217306 [0,2,0,0,0,0|2,0,0]=4 22205 B13R1.16 FCCOCc1cccc(c1I)Br 34a_100010146604_100011217306 [0,2,0,0,0,0|2,0,0]=4 22206 B13R1.16 FCCOCc1cccc(c1I)Br 7a_100010146604_100011217306 [0,2,0,0,0,0|2,0,0]=4 22207 B13R1.16 FCCOCc1cccc(c1I)F 34a_100000692438_100011217306 [0,2,0,0,0,0|2,0,0]=4 22208 B13R1.16 FCCOCc1cccc(c1I)F 7a_100000692438_100011217306 [0,2,0,0,0,0|2,0,0]=4 22209 B13R1.16 FCCSCc1cccc(c1Br)Cl 62a_100010145525_100011217306 [0,2,0,0,0,0|2,0,0]=4 22210 B13R1.16 FCCSCc1cccc(c1Br)Cl 62a_100011217306_100010145525 [0,2,0,0,0,0|2,0,0]=4 22211 B13R1.16 FCCSCc1cccc(c1Br)F 62a_100011217306_100012351116 [0,2,0,0,0,0|2,0,0]=4 22212 B13R1.16 FCCSCc1cccc(c1Br)F 62a_100012351116_100011217306 [0,2,0,0,0,0|2,0,0]=4 22213 B13R1.16 FCCSCc1cccc(c1Br)I 62a_100010254545_100011217306 [0,2,0,0,0,0|2,0,0]=4 22214 B13R1.16 FCCSCc1cccc(c1Br)I 62a_100011217306_100010254545 [0,2,0,0,0,0|2,0,0]=4 22215 B13R1.16 FCCSCc1cccc(c1Cl)Br 62a_100011217306_100012349491 [0,2,0,0,0,0|2,0,0]=4 22216 B13R1.16 FCCSCc1cccc(c1Cl)Br 62a_100012349491_100011217306 [0,2,0,0,0,0|2,0,0]=4 22217 B13R1.16 FCCSCc1cccc(c1Cl)Cl 62a_100000720918_100011217306 [0,2,0,0,0,0|2,0,0]=4 22218 B13R1.16 FCCSCc1cccc(c1Cl)Cl 62a_100011217306_100000723366 [0,2,0,0,0,0|2,0,0]=4 22219 B13R1.16 FCCSCc1cccc(c1Cl)F 62a_100000696688_100011217306 [0,2,0,0,0,0|2,0,0]=4 22220 B13R1.16 FCCSCc1cccc(c1Cl)F 62a_100011217306_100000696688 [0,2,0,0,0,0|2,0,0]=4 22221 B13R1.16 FCCSCc1cccc(c1F)Br 62a_100011217306_100012356506 [0,2,0,0,0,0|2,0,0]=4 22222 B13R1.16 FCCSCc1cccc(c1F)Br 62a_100012356506_100011217306 [0,2,0,0,0,0|2,0,0]=4 22223 B13R1.16 FCCSCc1cccc(c1F)Cl 62a_100000716733_100011217306 [0,2,0,0,0,0|2,0,0]=4 22224 B13R1.16 FCCSCc1cccc(c1F)Cl 62a_100011217306_100000716733 [0,2,0,0,0,0|2,0,0]=4 22225 B13R1.16 FCCSCc1cccc(c1F)F 62a_100000217499_100011217306 [0,2,0,0,0,0|2,0,0]=4 22226 B13R1.16 FCCSCc1cccc(c1F)F 62a_100011217306_100000217499 [0,2,0,0,0,0|2,0,0]=4 22227 B13R1.16 FCCSCc1cccc(c1I)F 62a_100010149603_100011217306 [0,2,0,0,0,0|2,0,0]=4 22228 B13R1.16 FCCSCc1cccc(c1I)F 62a_100011217306_100010149603 [0,2,0,0,0,0|2,0,0]=4 22229 B13R1.16 FCNCCc1cccc(c1Cl)Cl 34a_100000741019_100015361967 [0,2,0,0,0,0|2,0,0]=4 22230 B13R1.16 FCOCCc1cccc(c1Cl)Cl 34a_100011754357_100015361967 [0,2,0,0,0,0|2,0,0]=4 22231 B13R1.16 FCOCCc1cccc(c1Cl)Cl 7a_100011754357_100015361967 [0,2,0,0,0,0|2,0,0]=4 22232 B13R1.16 FCOCCc1cccc(c1F)Cl 34a_100011830271_100015361967 [0,2,0,0,0,0|2,0,0]=4 22233 B13R1.16 FCOCCc1cccc(c1F)Cl 7a_100011830271_100015361967 [0,2,0,0,0,0|2,0,0]=4 22234 B13R1.16 FCOCCc1cccc(c1F)F 34a_100000698707_100015361967 [0,2,0,0,0,0|2,0,0]=4 22235 B13R1.16 FCOCCc1cccc(c1F)F 7a_100000698707_100015361967 [0,2,0,0,0,0|2,0,0]=4 22236 B13R1.16 FCSCCc1cccc(c1Cl)Cl 62a_100000723033_100015361967 [0,2,0,0,0,0|2,0,0]=4 22237 B13R1.16 FCSCCc1cccc(c1Cl)Cl 62a_100015361967_100000723033 [0,2,0,0,0,0|2,0,0]=4 22238 B13R1.16 Fc1c(cccc1COCCBr)Br 34a_100000211926_100012356506 [0,2,0,0,0,0|2,0,0]=4 22239 B13R1.16 Fc1c(cccc1COCCBr)Cl 34a_100000211926_100000716733 [0,2,0,0,0,0|2,0,0]=4 22240 B13R1.16 Fc1cccc(c1Br)COCCBr 34a_100000211926_100012351116 [0,2,0,0,0,0|2,0,0]=4 22241 B13R1.16 Fc1cccc(c1Cl)COCCBr 34a_100000211926_100000696688 [0,2,0,0,0,0|2,0,0]=4 22242 B13R1.16 Fc1cccc(c1F)COCCBr 34a_100000211926_100000217499 [0,2,0,0,0,0|2,0,0]=4 22243 B13R1.16 Fc1cccc(c1I)COCCBr 34a_100000211926_100010149603 [0,2,0,0,0,0|2,0,0]=4 22244 B13R1.16 NCCOCc1cccc(c1Br)Cl 34a_100000210304_100010145525 [0,2,0,0,0,0|1,0,0]=3 22245 B13R1.16 NCCOCc1cccc(c1Br)F 34a_100000210304_100012351116 [0,2,0,0,0,0|1,0,0]=3 22246 B13R1.16 NCCOCc1cccc(c1Br)I 34a_100000210304_100010254545 [0,2,0,0,0,0|1,0,0]=3 22247 B13R1.16 NCCOCc1cccc(c1Cl)Br 34a_100000210304_100012349491 [0,2,0,0,0,0|1,0,0]=3 22248 B13R1.16 NCCOCc1cccc(c1Cl)Cl 34a_100000210304_100000723366 [0,2,0,0,0,0|1,0,0]=3 22249 B13R1.16 NCCOCc1cccc(c1Cl)F 34a_100000210304_100000696688 [0,2,0,0,0,0|1,0,0]=3 22250 B13R1.16 NCCOCc1cccc(c1F)Br 34a_100000210304_100012356506 [0,2,0,0,0,0|1,0,0]=3 22251 B13R1.16 NCCOCc1cccc(c1F)Cl 34a_100000210304_100000716733 [0,2,0,0,0,0|1,0,0]=3 22252 B13R1.16 NCCOCc1cccc(c1F)F 34a_100000210304_100000217499 [0,2,0,0,0,0|1,0,0]=3 22253 B13R1.16 NCCOCc1cccc(c1I)F 34a_100000210304_100010149603 [0,2,0,0,0,0|1,0,0]=3 22254 B13R1.16 Nc1c(cccc1COCCF)Br 34a_100012349457_100011217306 [0,2,0,0,0,0|2,0,0]=4 22255 B13R1.16 Nc1c(cccc1COCCF)Cl 34a_100012182729_100011217306 [0,2,0,0,0,0|2,0,0]=4 22256 B13R1.16 Nc1c(cccc1COCCF)F 34a_100000692437_100011217306 [0,2,0,0,0,0|2,0,0]=4 22257 B13R1.16 Nc1c(cccc1COCCO)Br 34a_100012349457_100000211926 [0,2,0,0,0,0|2,0,0]=4 22258 B13R1.16 Nc1c(cccc1COCCO)Cl 34a_100012182729_100000211926 [0,2,0,0,0,0|2,0,0]=4 22259 B13R1.16 Nc1c(cccc1COCCO)F 34a_100000692437_100000211926 [0,2,0,0,0,0|2,0,0]=4 22260 B13R1.16 Nc1c(cccc1OCCCF)Br 34a_100011934926_100011934791 [0,2,0,0,0,0|2,0,0]=4 22261 B13R1.16 Nc1c(cccc1OCCCF)Br 7a_100011934926_100011934791 [0,2,0,0,0,0|2,0,0]=4 22262 B13R1.16 Nc1c(cccc1OCCCF)Cl 34a_100012022510_100011934791 [0,2,0,0,0,0|2,0,0]=4 22263 B13R1.16 Nc1c(cccc1OCCCF)Cl 7a_100012022510_100011934791 [0,2,0,0,0,0|2,0,0]=4 22264 B13R1.16 Nc1c(cccc1OCCCF)F 34a_100020591140_100011934791 [0,2,0,0,0,0|2,0,0]=4 22265 B13R1.16 Nc1c(cccc1OCCCF)F 7a_100020591140_100011934791 [0,2,0,0,0,0|2,0,0]=4 22266 B13R1.16 Nc1c(cccc1OCCCF)I 34a_200000049512_100011934791 [0,2,0,0,0,0|2,0,0]=4 22267 B13R1.16 Nc1c(cccc1OCCCF)I 7a_200000049512_100011934791 [0,2,0,0,0,0|2,0,0]=4 22268 B13R1.16 Nc1c(cccc1OCCCO)Br 34a_100011934926_100000230001 [0,2,0,0,0,0|2,0,0]=4 22269 B13R1.16 Nc1c(cccc1OCCCO)Br 7a_100011934926_100011215043 [0,2,0,0,0,0|2,0,0]=4 22270 B13R1.16 Nc1c(cccc1OCCCO)Cl 34a_100012022510_100000230001 [0,2,0,0,0,0|2,0,0]=4 22271 B13R1.16 Nc1c(cccc1OCCCO)Cl 7a_100012022510_100011215043 [0,2,0,0,0,0|2,0,0]=4 22272 B13R1.16 Nc1c(cccc1OCCCO)F 34a_100020591140_100000230001 [0,2,0,0,0,0|2,0,0]=4 22273 B13R1.16 Nc1c(cccc1OCCCO)F 7a_100020591140_100011215043 [0,2,0,0,0,0|2,0,0]=4 22274 B13R1.16 Nc1c(cccc1OCCCO)I 34a_200000049512_100000230001 [0,2,0,0,0,0|2,0,0]=4 22275 B13R1.16 Nc1c(cccc1OCCCO)I 7a_200000049512_100011215043 [0,2,0,0,0,0|2,0,0]=4 22276 B13R1.16 Nc1c(cccc1SCCCF)Br 62a_100010146558_100011934791 [0,2,0,0,0,0|2,0,0]=4 22277 B13R1.16 Nc1c(cccc1SCCCF)Br 62a_100011934791_100010146558 [0,2,0,0,0,0|2,0,0]=4 22278 B13R1.16 Nc1c(cccc1SCCCF)Cl 62a_100010190421_100011934791 [0,2,0,0,0,0|2,0,0]=4 22279 B13R1.16 Nc1c(cccc1SCCCF)Cl 62a_100011934791_100010190421 [0,2,0,0,0,0|2,0,0]=4 22280 B13R1.16 Nc1c(cccc1SCCCF)F 62a_100000042321_100011934791 [0,2,0,0,0,0|2,0,0]=4 22281 B13R1.16 Nc1c(cccc1SCCCF)F 62a_100011934791_100000042321 [0,2,0,0,0,0|2,0,0]=4 22282 B13R1.16 Nc1c(cccc1SCCCF)O 62a_100011934791_100011934926 [0,2,0,0,0,0|2,0,0]=4 22283 B13R1.16 Nc1c(cccc1SCCCO)Br 62a_100010146558_100011215043 [0,2,0,0,0,0|2,0,0]=4 22284 B13R1.16 Nc1c(cccc1SCCCO)Br 62a_100011215043_100010146558 [0,2,0,0,0,0|2,0,0]=4 22285 B13R1.16 Nc1c(cccc1SCCCO)Cl 62a_100010190421_100011215043 [0,2,0,0,0,0|2,0,0]=4 22286 B13R1.16 Nc1c(cccc1SCCCO)Cl 62a_100011215043_100010190421 [0,2,0,0,0,0|2,0,0]=4 22287 B13R1.16 Nc1c(cccc1SCCCO)F 62a_100000042321_100011215043 [0,2,0,0,0,0|2,0,0]=4 22288 B13R1.16 Nc1c(cccc1SCCCO)F 62a_100011215043_100000042321 [0,2,0,0,0,0|2,0,0]=4 22289 B13R1.16 Nc1c(cccc1SCCCO)O 62a_100011215043_100011934926 [0,2,0,0,0,0|2,0,0]=4 22290 B13R1.16 Nc1cccc(c1Br)OCCCF 34a_100012183704_100011934791 [0,2,0,0,0,0|2,0,0]=4 22291 B13R1.16 Nc1cccc(c1Br)OCCCF 7a_100012183704_100011934791 [0,2,0,0,0,0|2,0,0]=4 22292 B13R1.16 Nc1cccc(c1Br)OCCCO 34a_100012183704_100000230001 [0,2,0,0,0,0|2,0,0]=4 22293 B13R1.16 Nc1cccc(c1Br)OCCCO 7a_100012183704_100011215043 [0,2,0,0,0,0|2,0,0]=4 22294 B13R1.16 Nc1cccc(c1Cl)OCCCF 34a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 22295 B13R1.16 Nc1cccc(c1Cl)OCCCF 7a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 22296 B13R1.16 Nc1cccc(c1Cl)OCCCO 34a_100012002038_100000230001 [0,2,0,0,0,0|2,0,0]=4 22297 B13R1.16 Nc1cccc(c1Cl)OCCCO 7a_100012002038_100011215043 [0,2,0,0,0,0|2,0,0]=4 22298 B13R1.16 Nc1cccc(c1F)COCCF 34a_100012023829_100011217306 [0,2,0,0,0,0|2,0,0]=4 22299 B13R1.16 Nc1cccc(c1F)COCCO 34a_100012023829_100000211926 [0,2,0,0,0,0|2,0,0]=4 22300 B13R1.16 Nc1cccc(c1F)SCCCF 62a_100011934791_100011935091 [0,2,0,0,0,0|2,0,0]=4 22301 B13R1.16 Nc1cccc(c1F)SCCCF 62a_100011935091_100011934791 [0,2,0,0,0,0|2,0,0]=4 22302 B13R1.16 Nc1cccc(c1F)SCCCO 62a_100011215043_100011935091 [0,2,0,0,0,0|2,0,0]=4 22303 B13R1.16 Nc1cccc(c1F)SCCCO 62a_100011935091_100011215043 [0,2,0,0,0,0|2,0,0]=4 22304 B13R1.16 Nc1cccc(c1N)OCCCF 34a_100000033209_100011934791 [0,2,0,0,0,0|2,0,0]=4 22305 B13R1.16 Nc1cccc(c1N)OCCCO 34a_100000033209_100000230001 [0,2,0,0,0,0|2,0,0]=4 22306 B13R1.16 Nc1cccc(c1N)SCCCF 62a_100015191791_100011934791 [0,2,0,0,0,0|2,0,0]=4 22307 B13R1.16 Nc1cccc(c1N)SCCCO 62a_100015191791_100011215043 [0,2,0,0,0,0|2,0,0]=4 22308 B13R1.16 Nc1cccc(c1O)SCCCF 62a_100011934791_100010084371 [0,2,0,0,0,0|2,0,0]=4 22309 B13R1.16 Nc1cccc(c1O)SCCCF 62a_100011934915_100011934791 [0,2,0,0,0,0|2,0,0]=4 22310 B13R1.16 Nc1cccc(c1O)SCCCO 62a_100011215043_100010084371 [0,2,0,0,0,0|2,0,0]=4 22311 B13R1.16 Nc1cccc(c1O)SCCCO 62a_100011934915_100011215043 [0,2,0,0,0,0|2,0,0]=4 22312 B13R1.16 OCCCNc1cccc(c1Br)Cl 34a_100000687072_100000230001 [0,2,0,0,0,0|2,0,0]=4 22313 B13R1.16 OCCCNc1cccc(c1Br)F 34a_100011934729_100000230001 [0,2,0,0,0,0|2,0,0]=4 22314 B13R1.16 OCCCNc1cccc(c1Br)O 34a_100012183704_100000230001 [0,2,0,0,0,0|2,0,0]=4 22315 B13R1.16 OCCCNc1cccc(c1Br)O 7a_100012183704_100011215043 [0,2,0,0,0,0|2,0,0]=4 22316 B13R1.16 OCCCNc1cccc(c1Cl)Br 34a_100000687075_100000230001 [0,2,0,0,0,0|2,0,0]=4 22317 B13R1.16 OCCCNc1cccc(c1Cl)Cl 34a_100000185733_100000230001 [0,2,0,0,0,0|2,0,0]=4 22318 B13R1.16 OCCCNc1cccc(c1Cl)F 34a_100000692321_100000230001 [0,2,0,0,0,0|2,0,0]=4 22319 B13R1.16 OCCCNc1cccc(c1Cl)O 34a_100012002038_100000230001 [0,2,0,0,0,0|2,0,0]=4 22320 B13R1.16 OCCCNc1cccc(c1Cl)O 7a_100012002038_100011215043 [0,2,0,0,0,0|2,0,0]=4 22321 B13R1.16 OCCCNc1cccc(c1F)Br 2230a_100011935091_100000230001 [0,2,0,0,0,0|2,0,0]=4 22322 B13R1.16 OCCCNc1cccc(c1F)Br 34a_100011935091_100000230001 [0,2,0,0,0,0|2,0,0]=4 22323 B13R1.16 OCCCNc1cccc(c1F)Cl 2230a_100000199060_100000230001 [0,2,0,0,0,0|2,0,0]=4 22324 B13R1.16 OCCCNc1cccc(c1F)Cl 34a_100000199060_100000230001 [0,2,0,0,0,0|2,0,0]=4 22325 B13R1.16 OCCCNc1cccc(c1F)F 34a_100000743855_100000230001 [0,2,0,0,0,0|2,0,0]=4 22326 B13R1.16 OCCCNc1cccc(c1I)Br 34a_100020590159_100000230001 [0,2,0,0,0,0|2,0,0]=4 22327 B13R1.16 OCCCNc1cccc(c1I)Cl 34a_100000049713_100000230001 [0,2,0,0,0,0|2,0,0]=4 22328 B13R1.16 OCCCNc1cccc(c1I)F 34a_100000690935_100000230001 [0,2,0,0,0,0|2,0,0]=4 22329 B13R1.16 OCCCNc1cccc(c1O)Br 34a_100011934915_100000230001 [0,2,0,0,0,0|2,0,0]=4 22330 B13R1.16 OCCCNc1cccc(c1O)Cl 34a_100000754742_100000230001 [0,2,0,0,0,0|2,0,0]=4 22331 B13R1.16 OCCCNc1cccc(c1O)F 34a_100011934987_100000230001 [0,2,0,0,0,0|2,0,0]=4 22332 B13R1.16 OCCCOc1cccc(c1Br)Br 34a_100010187966_100000230001 [0,2,0,0,0,0|2,0,0]=4 22333 B13R1.16 OCCCOc1cccc(c1Br)Br 7a_100010187966_100011215043 [0,2,0,0,0,0|2,0,0]=4 22334 B13R1.16 OCCCOc1cccc(c1Br)Cl 34a_100012348804_100000230001 [0,2,0,0,0,0|2,0,0]=4 22335 B13R1.16 OCCCOc1cccc(c1Br)Cl 7a_100012348804_100011215043 [0,2,0,0,0,0|2,0,0]=4 22336 B13R1.16 OCCCOc1cccc(c1Br)F 34a_100009820682_100000230001 [0,2,0,0,0,0|2,0,0]=4 22337 B13R1.16 OCCCOc1cccc(c1Br)F 7a_100009820682_100011215043 [0,2,0,0,0,0|2,0,0]=4 22338 B13R1.16 OCCCOc1cccc(c1Br)I 34a_100010187914_100000230001 [0,2,0,0,0,0|2,0,0]=4 22339 B13R1.16 OCCCOc1cccc(c1Br)I 7a_100010187914_100011215043 [0,2,0,0,0,0|2,0,0]=4 22340 B13R1.16 OCCCOc1cccc(c1Cl)Br 34a_100010187913_100000230001 [0,2,0,0,0,0|2,0,0]=4 22341 B13R1.16 OCCCOc1cccc(c1Cl)Br 7a_100010187913_100011215043 [0,2,0,0,0,0|2,0,0]=4 22342 B13R1.16 OCCCOc1cccc(c1Cl)Cl 34a_100000211076_100000230001 [0,2,0,0,0,0|2,0,0]=4 22343 B13R1.16 OCCCOc1cccc(c1Cl)Cl 7a_100000211076_100011215043 [0,2,0,0,0,0|2,0,0]=4 22344 B13R1.16 OCCCOc1cccc(c1Cl)F 34a_100000087408_100000230001 [0,2,0,0,0,0|2,0,0]=4 22345 B13R1.16 OCCCOc1cccc(c1Cl)F 7a_100000087408_100011215043 [0,2,0,0,0,0|2,0,0]=4 22346 B13R1.16 OCCCOc1cccc(c1Cl)I 34a_100000049636_100000230001 [0,2,0,0,0,0|2,0,0]=4 22347 B13R1.16 OCCCOc1cccc(c1Cl)I 7a_100000049636_100011215043 [0,2,0,0,0,0|2,0,0]=4 22348 B13R1.16 OCCCOc1cccc(c1F)Br 34a_100009817021_100000230001 [0,2,0,0,0,0|2,0,0]=4 22349 B13R1.16 OCCCOc1cccc(c1F)Br 7a_100009817021_100011215043 [0,2,0,0,0,0|2,0,0]=4 22350 B13R1.16 OCCCOc1cccc(c1F)Cl 34a_100000687438_100000230001 [0,2,0,0,0,0|2,0,0]=4 22351 B13R1.16 OCCCOc1cccc(c1F)Cl 7a_100000687438_100011215043 [0,2,0,0,0,0|2,0,0]=4 22352 B13R1.16 OCCCOc1cccc(c1F)F 34a_100000751161_100000230001 [0,2,0,0,0,0|2,0,0]=4 22353 B13R1.16 OCCCOc1cccc(c1F)F 7a_100000751161_100011215043 [0,2,0,0,0,0|2,0,0]=4 22354 B13R1.16 OCCCOc1cccc(c1I)Br 34a_100010187912_100000230001 [0,2,0,0,0,0|2,0,0]=4 22355 B13R1.16 OCCCOc1cccc(c1I)Br 7a_100010187912_100011215043 [0,2,0,0,0,0|2,0,0]=4 22356 B13R1.16 OCCCOc1cccc(c1I)Cl 34a_100000050174_100000230001 [0,2,0,0,0,0|2,0,0]=4 22357 B13R1.16 OCCCOc1cccc(c1I)Cl 7a_100000050174_100011215043 [0,2,0,0,0,0|2,0,0]=4 22358 B13R1.16 OCCCOc1cccc(c1I)F 34a_100000690913_100000230001 [0,2,0,0,0,0|2,0,0]=4 22359 B13R1.16 OCCCOc1cccc(c1I)F 7a_100000690913_100011215043 [0,2,0,0,0,0|2,0,0]=4 22360 B13R1.16 OCCCSc1cccc(c1Br)Br 62a_100010175083_100011215043 [0,2,0,0,0,0|2,0,0]=4 22361 B13R1.16 OCCCSc1cccc(c1Br)Br 62a_100011215043_100010175083 [0,2,0,0,0,0|2,0,0]=4 22362 B13R1.16 OCCCSc1cccc(c1Br)Cl 62a_100011215043_100014021842 [0,2,0,0,0,0|2,0,0]=4 22363 B13R1.16 OCCCSc1cccc(c1Br)Cl 62a_100014021842_100011215043 [0,2,0,0,0,0|2,0,0]=4 22364 B13R1.16 OCCCSc1cccc(c1Br)F 62a_100010202630_100011215043 [0,2,0,0,0,0|2,0,0]=4 22365 B13R1.16 OCCCSc1cccc(c1Br)F 62a_100011215043_100010202630 [0,2,0,0,0,0|2,0,0]=4 22366 B13R1.16 OCCCSc1cccc(c1Br)O 62a_100010187914_100011215043 [0,2,0,0,0,0|2,0,0]=4 22367 B13R1.16 OCCCSc1cccc(c1Br)O 62a_100011215043_100010187914 [0,2,0,0,0,0|2,0,0]=4 22368 B13R1.16 OCCCSc1cccc(c1Cl)Br 62a_100010142854_100011215043 [0,2,0,0,0,0|2,0,0]=4 22369 B13R1.16 OCCCSc1cccc(c1Cl)Br 62a_100011215043_100010142854 [0,2,0,0,0,0|2,0,0]=4 22370 B13R1.16 OCCCSc1cccc(c1Cl)Cl 62a_100011215043_100011215384 [0,2,0,0,0,0|2,0,0]=4 22371 B13R1.16 OCCCSc1cccc(c1Cl)Cl 62a_100011215384_100011215043 [0,2,0,0,0,0|2,0,0]=4 22372 B13R1.16 OCCCSc1cccc(c1Cl)F 62a_100011215043_200010234923 [0,2,0,0,0,0|2,0,0]=4 22373 B13R1.16 OCCCSc1cccc(c1Cl)F 62a_200010234923_100011215043 [0,2,0,0,0,0|2,0,0]=4 22374 B13R1.16 OCCCSc1cccc(c1Cl)O 62a_100011215043_100000049636 [0,2,0,0,0,0|2,0,0]=4 22375 B13R1.16 OCCCSc1cccc(c1F)Br 62a_100000702267_100011215043 [0,2,0,0,0,0|2,0,0]=4 22376 B13R1.16 OCCCSc1cccc(c1F)Br 62a_100011215043_100000702267 [0,2,0,0,0,0|2,0,0]=4 22377 B13R1.16 OCCCSc1cccc(c1F)Cl 62a_100011215043_100011217346 [0,2,0,0,0,0|2,0,0]=4 22378 B13R1.16 OCCCSc1cccc(c1F)Cl 62a_100011217346_100011215043 [0,2,0,0,0,0|2,0,0]=4 22379 B13R1.16 OCCCSc1cccc(c1F)F 62a_100000694657_100011215043 [0,2,0,0,0,0|2,0,0]=4 22380 B13R1.16 OCCCSc1cccc(c1F)F 62a_100011215043_100000694657 [0,2,0,0,0,0|2,0,0]=4 22381 B13R1.16 OCCCSc1cccc(c1F)O 62a_100009817021_100011215043 [0,2,0,0,0,0|2,0,0]=4 22382 B13R1.16 OCCCSc1cccc(c1F)O 62a_100011215043_100009817021 [0,2,0,0,0,0|2,0,0]=4 22383 B13R1.16 OCCCSc1cccc(c1O)Br 62a_100010084509_100011215043 [0,2,0,0,0,0|2,0,0]=4 22384 B13R1.16 OCCCSc1cccc(c1O)Br 62a_100011215043_100010084509 [0,2,0,0,0,0|2,0,0]=4 22385 B13R1.16 OCCCSc1cccc(c1O)Cl 62a_100010202889_100011215043 [0,2,0,0,0,0|2,0,0]=4 22386 B13R1.16 OCCCSc1cccc(c1O)Cl 62a_100011215043_100010202889 [0,2,0,0,0,0|2,0,0]=4 22387 B13R1.16 OCCCSc1cccc(c1O)F 62a_100009813666_100011215043 [0,2,0,0,0,0|2,0,0]=4 22388 B13R1.16 OCCCSc1cccc(c1O)F 62a_100011215043_100009813666 [0,2,0,0,0,0|2,0,0]=4 22389 B13R1.16 OCCCSc1cccc(c1O)O 62a_100011215043_100009815950 [0,2,0,0,0,0|2,0,0]=4 22390 B13R1.16 OCCNCc1cccc(c1Br)Br 207a_100000210304_100010240334 [0,2,0,0,0,0|2,0,0]=4 22391 B13R1.16 OCCNCc1cccc(c1Br)Br 270004a_100000210304_100010240334 [0,2,0,0,0,0|2,0,0]=4 22392 B13R1.16 OCCNCc1cccc(c1Br)Cl 207a_100000210304_100010232083 [0,2,0,0,0,0|2,0,0]=4 22393 B13R1.16 OCCNCc1cccc(c1Br)Cl 2230a_100016997473_100010145525 [0,2,0,0,0,0|2,0,0]=4 22394 B13R1.16 OCCNCc1cccc(c1Br)Cl 270004a_100000210304_100010232083 [0,2,0,0,0,0|2,0,0]=4 22395 B13R1.16 OCCNCc1cccc(c1Br)Cl 34a_100016990907_100010145525 [0,2,0,0,0,0|2,0,0]=4 22396 B13R1.16 OCCNCc1cccc(c1Br)F 207a_100000210304_100011934749 [0,2,0,0,0,0|2,0,0]=4 22397 B13R1.16 OCCNCc1cccc(c1Br)F 2230a_100016997473_100012351116 [0,2,0,0,0,0|2,0,0]=4 22398 B13R1.16 OCCNCc1cccc(c1Br)F 2230a_100020638964_100000211926 [0,2,0,0,0,0|2,0,0]=4 22399 B13R1.16 OCCNCc1cccc(c1Br)F 270004a_100000210304_100011934749 [0,2,0,0,0,0|2,0,0]=4 22400 B13R1.16 OCCNCc1cccc(c1Br)F 34a_100016990907_100012351116 [0,2,0,0,0,0|2,0,0]=4 22401 B13R1.16 OCCNCc1cccc(c1Br)F 34a_100020638964_100000211926 [0,2,0,0,0,0|2,0,0]=4 22402 B13R1.16 OCCNCc1cccc(c1Br)I 2230a_100016997473_100010254545 [0,2,0,0,0,0|2,0,0]=4 22403 B13R1.16 OCCNCc1cccc(c1Br)I 34a_100016990907_100010254545 [0,2,0,0,0,0|2,0,0]=4 22404 B13R1.16 OCCNCc1cccc(c1Cl)Br 207a_100000210304_100012362481 [0,2,0,0,0,0|2,0,0]=4 22405 B13R1.16 OCCNCc1cccc(c1Cl)Br 2230a_100016997473_100012349491 [0,2,0,0,0,0|2,0,0]=4 22406 B13R1.16 OCCNCc1cccc(c1Cl)Br 270004a_100000210304_100012362481 [0,2,0,0,0,0|2,0,0]=4 22407 B13R1.16 OCCNCc1cccc(c1Cl)Br 34a_100016990907_100012349491 [0,2,0,0,0,0|2,0,0]=4 22408 B13R1.16 OCCNCc1cccc(c1Cl)Cl 207a_100000210304_100000210504 [0,2,0,0,0,0|2,0,0]=4 22409 B13R1.16 OCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000211926 [0,2,0,0,0,0|2,0,0]=4 22410 B13R1.16 OCCNCc1cccc(c1Cl)Cl 2230a_100016997473_100000723366 [0,2,0,0,0,0|2,0,0]=4 22411 B13R1.16 OCCNCc1cccc(c1Cl)Cl 270004a_100000210304_100000210504 [0,2,0,0,0,0|2,0,0]=4 22412 B13R1.16 OCCNCc1cccc(c1Cl)Cl 34a_100011211633_100000211926 [0,2,0,0,0,0|2,0,0]=4 22413 B13R1.16 OCCNCc1cccc(c1Cl)Cl 34a_100016990907_100000723366 [0,2,0,0,0,0|2,0,0]=4 22414 B13R1.16 OCCNCc1cccc(c1Cl)F 207a_100000210304_100011998484 [0,2,0,0,0,0|2,0,0]=4 22415 B13R1.16 OCCNCc1cccc(c1Cl)F 2230a_100012001614_100000211926 [0,2,0,0,0,0|2,0,0]=4 22416 B13R1.16 OCCNCc1cccc(c1Cl)F 2230a_100016997473_100000696688 [0,2,0,0,0,0|2,0,0]=4 22417 B13R1.16 OCCNCc1cccc(c1Cl)F 270004a_100000210304_100011998484 [0,2,0,0,0,0|2,0,0]=4 22418 B13R1.16 OCCNCc1cccc(c1Cl)F 34a_100012001614_100000211926 [0,2,0,0,0,0|2,0,0]=4 22419 B13R1.16 OCCNCc1cccc(c1Cl)F 34a_100016990907_100000696688 [0,2,0,0,0,0|2,0,0]=4 22420 B13R1.16 OCCNCc1cccc(c1Cl)O 270004a_100000210304_100000050521 [0,2,0,0,0,0|2,0,0]=4 22421 B13R1.16 OCCNCc1cccc(c1F)Br 207a_100000210304_100011361543 [0,2,0,0,0,0|2,0,0]=4 22422 B13R1.16 OCCNCc1cccc(c1F)Br 2230a_100015189953_100000211926 [0,2,0,0,0,0|2,0,0]=4 22423 B13R1.16 OCCNCc1cccc(c1F)Br 2230a_100016997473_100012356506 [0,2,0,0,0,0|2,0,0]=4 22424 B13R1.16 OCCNCc1cccc(c1F)Br 270004a_100000210304_100011361543 [0,2,0,0,0,0|2,0,0]=4 22425 B13R1.16 OCCNCc1cccc(c1F)Br 34a_100015189953_100000211926 [0,2,0,0,0,0|2,0,0]=4 22426 B13R1.16 OCCNCc1cccc(c1F)Br 34a_100016990907_100012356506 [0,2,0,0,0,0|2,0,0]=4 22427 B13R1.16 OCCNCc1cccc(c1F)Cl 207a_100000210304_100000766533 [0,2,0,0,0,0|2,0,0]=4 22428 B13R1.16 OCCNCc1cccc(c1F)Cl 2230a_100000764326_100000211926 [0,2,0,0,0,0|2,0,0]=4 22429 B13R1.16 OCCNCc1cccc(c1F)Cl 2230a_100016997473_100000716733 [0,2,0,0,0,0|2,0,0]=4 22430 B13R1.16 OCCNCc1cccc(c1F)Cl 270004a_100000210304_100000766533 [0,2,0,0,0,0|2,0,0]=4 22431 B13R1.16 OCCNCc1cccc(c1F)Cl 34a_100000764326_100000211926 [0,2,0,0,0,0|2,0,0]=4 22432 B13R1.16 OCCNCc1cccc(c1F)Cl 34a_100016990907_100000716733 [0,2,0,0,0,0|2,0,0]=4 22433 B13R1.16 OCCNCc1cccc(c1F)F 207a_100000210304_100000753312 [0,2,0,0,0,0|2,0,0]=4 22434 B13R1.16 OCCNCc1cccc(c1F)F 2230a_100011199105_100000211926 [0,2,0,0,0,0|2,0,0]=4 22435 B13R1.16 OCCNCc1cccc(c1F)F 2230a_100016997473_100000217499 [0,2,0,0,0,0|2,0,0]=4 22436 B13R1.16 OCCNCc1cccc(c1F)F 270004a_100000210304_100000753312 [0,2,0,0,0,0|2,0,0]=4 22437 B13R1.16 OCCNCc1cccc(c1F)F 34a_100011199105_100000211926 [0,2,0,0,0,0|2,0,0]=4 22438 B13R1.16 OCCNCc1cccc(c1F)F 34a_100016990907_100000217499 [0,2,0,0,0,0|2,0,0]=4 22439 B13R1.16 OCCNCc1cccc(c1F)I 207a_100000210304_100010202174 [0,2,0,0,0,0|2,0,0]=4 22440 B13R1.16 OCCNCc1cccc(c1F)I 270004a_100000210304_100010202174 [0,2,0,0,0,0|2,0,0]=4 22441 B13R1.16 OCCNCc1cccc(c1F)O 34a_100025773512_100000211926 [0,2,0,0,0,0|2,0,0]=4 22442 B13R1.16 OCCNCc1cccc(c1I)F 207a_100000210304_100010186293 [0,2,0,0,0,0|2,0,0]=4 22443 B13R1.16 OCCNCc1cccc(c1I)F 2230a_100016997473_100010149603 [0,2,0,0,0,0|2,0,0]=4 22444 B13R1.16 OCCNCc1cccc(c1I)F 270004a_100000210304_100010186293 [0,2,0,0,0,0|2,0,0]=4 22445 B13R1.16 OCCNCc1cccc(c1I)F 34a_100016990907_100010149603 [0,2,0,0,0,0|2,0,0]=4 22446 B13R1.16 OCCOCc1cccc(c1Br)Cl 34a_100010168166_100000211926 [0,2,0,0,0,0|2,0,0]=4 22447 B13R1.16 OCCOCc1cccc(c1Br)Cl 7a_100010168166_100000211926 [0,2,0,0,0,0|2,0,0]=4 22448 B13R1.16 OCCOCc1cccc(c1Br)F 34a_100012351117_100000211926 [0,2,0,0,0,0|2,0,0]=4 22449 B13R1.16 OCCOCc1cccc(c1Br)F 7a_100012351117_100000211926 [0,2,0,0,0,0|2,0,0]=4 22450 B13R1.16 OCCOCc1cccc(c1Br)I 34a_100010240205_100000211926 [0,2,0,0,0,0|2,0,0]=4 22451 B13R1.16 OCCOCc1cccc(c1Br)I 7a_100010240205_100000211926 [0,2,0,0,0,0|2,0,0]=4 22452 B13R1.16 OCCOCc1cccc(c1Cl)Br 34a_100012351182_100000211926 [0,2,0,0,0,0|2,0,0]=4 22453 B13R1.16 OCCOCc1cccc(c1Cl)Br 7a_100012351182_100000211926 [0,2,0,0,0,0|2,0,0]=4 22454 B13R1.16 OCCOCc1cccc(c1Cl)Cl 34a_100000720469_100000211926 [0,2,0,0,0,0|2,0,0]=4 22455 B13R1.16 OCCOCc1cccc(c1Cl)Cl 7a_100000720469_100000211926 [0,2,0,0,0,0|2,0,0]=4 22456 B13R1.16 OCCOCc1cccc(c1Cl)F 34a_100000696319_100000211926 [0,2,0,0,0,0|2,0,0]=4 22457 B13R1.16 OCCOCc1cccc(c1Cl)F 7a_100000696319_100000211926 [0,2,0,0,0,0|2,0,0]=4 22458 B13R1.16 OCCOCc1cccc(c1F)Br 34a_100011935076_100000211926 [0,2,0,0,0,0|2,0,0]=4 22459 B13R1.16 OCCOCc1cccc(c1F)Br 7a_100011935076_100000211926 [0,2,0,0,0,0|2,0,0]=4 22460 B13R1.16 OCCOCc1cccc(c1F)Cl 34a_100011216988_100000211926 [0,2,0,0,0,0|2,0,0]=4 22461 B13R1.16 OCCOCc1cccc(c1F)Cl 7a_100011216988_100000211926 [0,2,0,0,0,0|2,0,0]=4 22462 B13R1.16 OCCOCc1cccc(c1F)F 34a_100011218644_100000211926 [0,2,0,0,0,0|2,0,0]=4 22463 B13R1.16 OCCOCc1cccc(c1F)F 7a_100011218644_100000211926 [0,2,0,0,0,0|2,0,0]=4 22464 B13R1.16 OCCOCc1cccc(c1F)I 34a_200010235739_100000211926 [0,2,0,0,0,0|2,0,0]=4 22465 B13R1.16 OCCOCc1cccc(c1F)I 7a_200010235739_100000211926 [0,2,0,0,0,0|2,0,0]=4 22466 B13R1.16 OCCOCc1cccc(c1I)Br 34a_100010146604_100000211926 [0,2,0,0,0,0|2,0,0]=4 22467 B13R1.16 OCCOCc1cccc(c1I)Br 7a_100010146604_100000211926 [0,2,0,0,0,0|2,0,0]=4 22468 B13R1.16 OCCOCc1cccc(c1I)F 34a_100000692438_100000211926 [0,2,0,0,0,0|2,0,0]=4 22469 B13R1.16 OCCOCc1cccc(c1I)F 7a_100000692438_100000211926 [0,2,0,0,0,0|2,0,0]=4 22470 B13R1.16 OCCSCc1cccc(c1Br)Cl 62a_100000211926_100010145525 [0,2,0,0,0,0|2,0,0]=4 22471 B13R1.16 OCCSCc1cccc(c1Br)Cl 62a_100010145525_100000211926 [0,2,0,0,0,0|2,0,0]=4 22472 B13R1.16 OCCSCc1cccc(c1Br)F 62a_100000211926_100012351116 [0,2,0,0,0,0|2,0,0]=4 22473 B13R1.16 OCCSCc1cccc(c1Br)F 62a_100012351116_100000211926 [0,2,0,0,0,0|2,0,0]=4 22474 B13R1.16 OCCSCc1cccc(c1Br)I 62a_100000211926_100010254545 [0,2,0,0,0,0|2,0,0]=4 22475 B13R1.16 OCCSCc1cccc(c1Br)I 62a_100010254545_100000211926 [0,2,0,0,0,0|2,0,0]=4 22476 B13R1.16 OCCSCc1cccc(c1Cl)Br 62a_100000211926_100012349491 [0,2,0,0,0,0|2,0,0]=4 22477 B13R1.16 OCCSCc1cccc(c1Cl)Br 62a_100012349491_100000211926 [0,2,0,0,0,0|2,0,0]=4 22478 B13R1.16 OCCSCc1cccc(c1Cl)Cl 62a_100000211926_100000723366 [0,2,0,0,0,0|2,0,0]=4 22479 B13R1.16 OCCSCc1cccc(c1Cl)Cl 62a_100000720918_100000211926 [0,2,0,0,0,0|2,0,0]=4 22480 B13R1.16 OCCSCc1cccc(c1Cl)F 62a_100000211926_100000696688 [0,2,0,0,0,0|2,0,0]=4 22481 B13R1.16 OCCSCc1cccc(c1Cl)F 62a_100000696688_100000211926 [0,2,0,0,0,0|2,0,0]=4 22482 B13R1.16 OCCSCc1cccc(c1F)Br 62a_100000211926_100012356506 [0,2,0,0,0,0|2,0,0]=4 22483 B13R1.16 OCCSCc1cccc(c1F)Br 62a_100012356506_100000211926 [0,2,0,0,0,0|2,0,0]=4 22484 B13R1.16 OCCSCc1cccc(c1F)Cl 62a_100000211926_100000716733 [0,2,0,0,0,0|2,0,0]=4 22485 B13R1.16 OCCSCc1cccc(c1F)Cl 62a_100000716733_100000211926 [0,2,0,0,0,0|2,0,0]=4 22486 B13R1.16 OCCSCc1cccc(c1F)F 62a_100000211926_100000217499 [0,2,0,0,0,0|2,0,0]=4 22487 B13R1.16 OCCSCc1cccc(c1F)F 62a_100000217499_100000211926 [0,2,0,0,0,0|2,0,0]=4 22488 B13R1.16 OCCSCc1cccc(c1I)F 62a_100000211926_100010149603 [0,2,0,0,0,0|2,0,0]=4 22489 B13R1.16 OCCSCc1cccc(c1I)F 62a_100010149603_100000211926 [0,2,0,0,0,0|2,0,0]=4 22490 B13R1.16 Oc1c(cccc1NCCCF)Br 34a_100011934915_100011934791 [0,2,0,0,0,0|2,0,0]=4 22491 B13R1.16 Oc1c(cccc1NCCCF)Cl 34a_100000754742_100011934791 [0,2,0,0,0,0|2,0,0]=4 22492 B13R1.16 Oc1c(cccc1NCCCF)F 34a_100011934987_100011934791 [0,2,0,0,0,0|2,0,0]=4 22493 B13R1.16 Oc1c(cccc1SCCCF)Br 62a_100010084509_100011934791 [0,2,0,0,0,0|2,0,0]=4 22494 B13R1.16 Oc1c(cccc1SCCCF)Br 62a_100011934791_100010084509 [0,2,0,0,0,0|2,0,0]=4 22495 B13R1.16 Oc1c(cccc1SCCCF)Cl 62a_100010202889_100011934791 [0,2,0,0,0,0|2,0,0]=4 22496 B13R1.16 Oc1c(cccc1SCCCF)Cl 62a_100011934791_100010202889 [0,2,0,0,0,0|2,0,0]=4 22497 B13R1.16 Oc1c(cccc1SCCCF)F 62a_100009813666_100011934791 [0,2,0,0,0,0|2,0,0]=4 22498 B13R1.16 Oc1c(cccc1SCCCF)F 62a_100011934791_100009813666 [0,2,0,0,0,0|2,0,0]=4 22499 B13R1.16 Oc1cccc(c1Br)NCCCF 34a_100012183704_100011934791 [0,2,0,0,0,0|2,0,0]=4 22500 B13R1.16 Oc1cccc(c1Br)NCCCF 7a_100012183704_100011934791 [0,2,0,0,0,0|2,0,0]=4 22501 B13R1.16 Oc1cccc(c1Br)SCCCF 62a_100010187914_100011934791 [0,2,0,0,0,0|2,0,0]=4 22502 B13R1.16 Oc1cccc(c1Br)SCCCF 62a_100011934791_100010187914 [0,2,0,0,0,0|2,0,0]=4 22503 B13R1.16 Oc1cccc(c1Cl)NCCCF 34a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 22504 B13R1.16 Oc1cccc(c1Cl)NCCCF 7a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 22505 B13R1.16 Oc1cccc(c1Cl)SCCCF 62a_100011934791_100000049636 [0,2,0,0,0,0|2,0,0]=4 22506 B13R1.16 Oc1cccc(c1F)CNCCF 34a_100025773512_100011217306 [0,2,0,0,0,0|2,0,0]=4 22507 B13R1.16 Oc1cccc(c1F)SCCCF 62a_100009817021_100011934791 [0,2,0,0,0,0|2,0,0]=4 22508 B13R1.16 Oc1cccc(c1F)SCCCF 62a_100011934791_100009817021 [0,2,0,0,0,0|2,0,0]=4 22509 B13R1.16 Oc1cccc(c1O)SCCCF 62a_100011934791_100009815950 [0,2,0,0,0,0|2,0,0]=4 22510 B13R1.18 CC(NCCF)c1cccc(c1)Br 2230a_100020642005_100011217306 [0,2,0,0,0,0|2,0,0]=4 22511 B13R1.18 CC(NCCF)c1cccc(c1)Br 269862a_100000724931_100000210093 [0,2,0,0,0,0|2,0,0]=4 22512 B13R1.18 CC(NCCF)c1cccc(c1)Cl 2230a_100102723534_100011217306 [0,2,0,0,0,0|2,0,0]=4 22513 B13R1.18 CC(NCCF)c1cccc(c1)Cl 269862a_100000724931_200000210964 [0,2,0,0,0,0|2,0,0]=4 22514 B13R1.18 CC(NCCF)c1cccc(c1)Cl 34a_100102723534_100011217306 [0,2,0,0,0,0|2,0,0]=4 22515 B13R1.18 CC(NCCF)c1cccc(c1)F 269862a_100000724931_100000187083 [0,2,0,0,0,0|2,0,0]=4 22516 B13R1.18 CC(NCCF)c1cccc(c1)I 269862a_100000724931_100011356966 [0,2,0,0,0,0|2,0,0]=4 22517 B13R1.18 CC(NCCF)c1cccc(c1)O 2230a_100000740644_100011217306 [0,2,0,0,0,0|2,0,0]=4 22518 B13R1.18 CC(NCCF)c1cccc(c1)O 269862a_100000724931_100000211620 [0,2,0,0,0,0|2,0,0]=4 22519 B13R1.18 CC(NCCO)c1cccc(c1)Br 2230a_100020642005_100000211926 [0,2,0,0,0,0|2,0,0]=4 22520 B13R1.18 CC(NCCO)c1cccc(c1)Br 269862a_100000210304_100000210093 [0,2,0,0,0,0|2,0,0]=4 22521 B13R1.18 CC(NCCO)c1cccc(c1)Cl 2230a_100102723534_100000211926 [0,2,0,0,0,0|2,0,0]=4 22522 B13R1.18 CC(NCCO)c1cccc(c1)Cl 269862a_100000210304_200000210964 [0,2,0,0,0,0|2,0,0]=4 22523 B13R1.18 CC(NCCO)c1cccc(c1)Cl 34a_100102723534_100000211926 [0,2,0,0,0,0|2,0,0]=4 22524 B13R1.18 CC(NCCO)c1cccc(c1)F 269862a_100000210304_100000187083 [0,2,0,0,0,0|2,0,0]=4 22525 B13R1.18 CC(NCCO)c1cccc(c1)I 269862a_100000210304_100011356966 [0,2,0,0,0,0|2,0,0]=4 22526 B13R1.18 CC(NCCO)c1cccc(c1)O 2230a_100000740644_100000211926 [0,2,0,0,0,0|2,0,0]=4 22527 B13R1.18 CC(NCCO)c1cccc(c1)O 269862a_100000210304_100000211620 [0,2,0,0,0,0|2,0,0]=4 22528 B13R1.18 CC(OCCF)c1cccc(c1)Br 34a_100000246457_100011217306 [0,2,0,0,0,0|2,0,0]=4 22529 B13R1.18 CC(OCCF)c1cccc(c1)Br 7a_100000246457_100011217306 [0,2,0,0,0,0|2,0,0]=4 22530 B13R1.18 CC(OCCF)c1cccc(c1)F 34a_100000744526_100011217306 [0,2,0,0,0,0|2,0,0]=4 22531 B13R1.18 CC(OCCF)c1cccc(c1)F 7a_100000744526_100011217306 [0,2,0,0,0,0|2,0,0]=4 22532 B13R1.18 CC(OCCF)c1cccc(c1)I 34a_100013085317_100011217306 [0,2,0,0,0,0|2,0,0]=4 22533 B13R1.18 CC(OCCF)c1cccc(c1)I 7a_100013085317_100011217306 [0,2,0,0,0,0|2,0,0]=4 22534 B13R1.18 CC(OCCF)c1cccc(c1)N 34a_100011217120_100011217306 [0,2,0,0,0,0|2,0,0]=4 22535 B13R1.18 CC(OCCF)c1cccc(c1)N 7a_100011217120_100011217306 [0,2,0,0,0,0|2,0,0]=4 22536 B13R1.18 CC(OCCO)c1cccc(c1)Br 34a_100000246457_100000211926 [0,2,0,0,0,0|2,0,0]=4 22537 B13R1.18 CC(OCCO)c1cccc(c1)Br 7a_100000246457_100000211926 [0,2,0,0,0,0|2,0,0]=4 22538 B13R1.18 CC(OCCO)c1cccc(c1)F 34a_100000744526_100000211926 [0,2,0,0,0,0|2,0,0]=4 22539 B13R1.18 CC(OCCO)c1cccc(c1)F 7a_100000744526_100000211926 [0,2,0,0,0,0|2,0,0]=4 22540 B13R1.18 CC(OCCO)c1cccc(c1)I 34a_100013085317_100000211926 [0,2,0,0,0,0|2,0,0]=4 22541 B13R1.18 CC(OCCO)c1cccc(c1)I 7a_100013085317_100000211926 [0,2,0,0,0,0|2,0,0]=4 22542 B13R1.18 CC(OCCO)c1cccc(c1)N 34a_100011217120_100000211926 [0,2,0,0,0,0|2,0,0]=4 22543 B13R1.18 CC(OCCO)c1cccc(c1)N 7a_100011217120_100000211926 [0,2,0,0,0,0|2,0,0]=4 22544 B13R1.18 CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210211 [0,2,0,0,0,0|1,0,1]=4 22545 B13R1.18 CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210211 [0,2,0,0,0,0|1,0,1]=4 22546 B13R1.18 CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210211 [0,2,0,0,0,0|1,0,1]=4 22547 B13R1.18 CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210211 [0,2,0,0,0,0|1,0,1]=4 22548 B13R1.18 CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210211 [0,2,0,0,0,0|1,0,1]=4 22549 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,2,0,0,0,0|1,0,1]=4 22550 B13R1.18 CCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210211 [0,2,0,0,0,0|2,0,0]=4 22551 B13R1.18 CCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210211 [0,2,0,0,0,0|2,0,0]=4 22552 B13R1.18 CCCCN(C)c1cccc(c1)Br 34a_100000219648_100000210210 [0,2,0,0,0,0|2,0,0]=4 22553 B13R1.18 CCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210211 [0,2,0,0,0,0|2,0,0]=4 22554 B13R1.18 CCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210211 [0,2,0,0,0,0|2,0,0]=4 22555 B13R1.18 CCCCN(C)c1cccc(c1)C 34a_100000219674_100000210210 [0,2,0,0,0,0|2,0,0]=4 22556 B13R1.18 CCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210211 [0,2,0,0,0,0|2,0,0]=4 22557 B13R1.18 CCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210211 [0,2,0,0,0,0|2,0,0]=4 22558 B13R1.18 CCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210210 [0,2,0,0,0,0|2,0,0]=4 22559 B13R1.18 CCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210211 [0,2,0,0,0,0|2,0,0]=4 22560 B13R1.18 CCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210211 [0,2,0,0,0,0|2,0,0]=4 22561 B13R1.18 CCCCN(C)c1cccc(c1)F 34a_100020633736_100000210210 [0,2,0,0,0,0|2,0,0]=4 22562 B13R1.18 CCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210211 [0,2,0,0,0,0|2,0,0]=4 22563 B13R1.18 CCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210211 [0,2,0,0,0,0|2,0,0]=4 22564 B13R1.18 CCCCN(C)c1cccc(c1)I 34a_100000221217_100000210210 [0,2,0,0,0,0|2,0,0]=4 22565 B13R1.18 CCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 22566 B13R1.18 CCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 22567 B13R1.18 CCCCN(C)c1cccc(c1)O 34a_100000756613_100000210210 [0,2,0,0,0,0|2,0,0]=4 22568 B13R1.18 CCCCS(=O)c1cccc(c1)O 271570a_203496583355_200010264433 [0,2,0,0,0,0|2,0,0]=4 22569 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,2,0,0,0,0|2,0,0]=4 22570 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,2,0,0,0,0|2,0,0]=4 22571 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,2,0,0,0,0|2,0,0]=4 22572 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,2,0,0,0,0|2,0,0]=4 22573 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,2,0,0,0,0|2,0,0]=4 22574 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,2,0,0,0,0|2,0,0]=4 22575 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,2,0,0,0,0|2,0,0]=4 22576 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,2,0,0,0,0|2,0,0]=4 22577 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,2,0,0,0,0|2,0,0]=4 22578 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,2,0,0,0,0|2,0,0]=4 22579 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,2,0,0,0,0|2,0,0]=4 22580 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,2,0,0,0,0|2,0,0]=4 22581 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,2,0,0,0,0|2,0,0]=4 22582 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,2,0,0,0,0|2,0,0]=4 22583 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,2,0,0,0,0|2,0,0]=4 22584 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,2,0,0,0,0|2,0,0]=4 22585 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,2,0,0,0,0|2,0,0]=4 22586 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,2,0,0,0,0|2,0,0]=4 22587 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,2,0,0,0,0|2,0,0]=4 22588 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,2,0,0,0,0|2,0,0]=4 22589 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,2,0,0,0,0|2,0,0]=4 22590 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,2,0,0,0,0|2,0,0]=4 22591 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,2,0,0,0,0|2,0,0]=4 22592 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,2,0,0,0,0|2,0,0]=4 22593 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,2,0,0,0,0|2,0,0]=4 22594 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,2,0,0,0,0|2,0,0]=4 22595 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [0,2,0,0,0,0|2,0,0]=4 22596 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [0,2,0,0,0,0|2,0,0]=4 22597 B13R1.18 CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 22598 B13R1.18 CCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 22599 B13R1.18 CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 22600 B13R1.18 CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 22601 B13R1.18 CN(CCCF)c1cccc(c1)Br 2230a_100000219648_100011934791 [0,2,0,0,0,0|2,0,0]=4 22602 B13R1.18 CN(CCCF)c1cccc(c1)Br 269982a_100000219648_100011934791 [0,2,0,0,0,0|2,0,0]=4 22603 B13R1.18 CN(CCCF)c1cccc(c1)Br 34a_100000219648_100011934791 [0,2,0,0,0,0|2,0,0]=4 22604 B13R1.18 CN(CCCF)c1cccc(c1)Cl 2230a_100000220044_100011934791 [0,2,0,0,0,0|2,0,0]=4 22605 B13R1.18 CN(CCCF)c1cccc(c1)Cl 269982a_100000220044_100011934791 [0,2,0,0,0,0|2,0,0]=4 22606 B13R1.18 CN(CCCF)c1cccc(c1)Cl 34a_100000220044_100011934791 [0,2,0,0,0,0|2,0,0]=4 22607 B13R1.18 CN(CCCF)c1cccc(c1)F 2230a_100020633736_100011934791 [0,2,0,0,0,0|2,0,0]=4 22608 B13R1.18 CN(CCCF)c1cccc(c1)F 269982a_100020633736_100011934791 [0,2,0,0,0,0|2,0,0]=4 22609 B13R1.18 CN(CCCF)c1cccc(c1)F 34a_100020633736_100011934791 [0,2,0,0,0,0|2,0,0]=4 22610 B13R1.18 CN(CCCF)c1cccc(c1)I 2230a_100000221217_100011934791 [0,2,0,0,0,0|2,0,0]=4 22611 B13R1.18 CN(CCCF)c1cccc(c1)I 269982a_100000221217_100011934791 [0,2,0,0,0,0|2,0,0]=4 22612 B13R1.18 CN(CCCF)c1cccc(c1)I 34a_100000221217_100011934791 [0,2,0,0,0,0|2,0,0]=4 22613 B13R1.18 CN(CCCF)c1cccc(c1)O 2230a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 22614 B13R1.18 CN(CCCF)c1cccc(c1)O 269982a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 22615 B13R1.18 CN(CCCF)c1cccc(c1)O 34a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 22616 B13R1.18 CN(CCCO)c1cccc(c1)Br 2230a_100000219648_100000230001 [0,2,0,0,0,0|2,0,0]=4 22617 B13R1.18 CN(CCCO)c1cccc(c1)Br 269982a_100000219648_100011215043 [0,2,0,0,0,0|2,0,0]=4 22618 B13R1.18 CN(CCCO)c1cccc(c1)Br 34a_100000219648_100000230001 [0,2,0,0,0,0|2,0,0]=4 22619 B13R1.18 CN(CCCO)c1cccc(c1)Cl 2230a_100000220044_100000230001 [0,2,0,0,0,0|2,0,0]=4 22620 B13R1.18 CN(CCCO)c1cccc(c1)Cl 269982a_100000220044_100011215043 [0,2,0,0,0,0|2,0,0]=4 22621 B13R1.18 CN(CCCO)c1cccc(c1)Cl 34a_100000220044_100000230001 [0,2,0,0,0,0|2,0,0]=4 22622 B13R1.18 CN(CCCO)c1cccc(c1)F 2230a_100020633736_100000230001 [0,2,0,0,0,0|2,0,0]=4 22623 B13R1.18 CN(CCCO)c1cccc(c1)F 269982a_100020633736_100011215043 [0,2,0,0,0,0|2,0,0]=4 22624 B13R1.18 CN(CCCO)c1cccc(c1)F 34a_100020633736_100000230001 [0,2,0,0,0,0|2,0,0]=4 22625 B13R1.18 CN(CCCO)c1cccc(c1)I 2230a_100000221217_100000230001 [0,2,0,0,0,0|2,0,0]=4 22626 B13R1.18 CN(CCCO)c1cccc(c1)I 269982a_100000221217_100011215043 [0,2,0,0,0,0|2,0,0]=4 22627 B13R1.18 CN(CCCO)c1cccc(c1)I 34a_100000221217_100000230001 [0,2,0,0,0,0|2,0,0]=4 22628 B13R1.18 CN(CCCO)c1cccc(c1)O 2230a_100000756613_100000230001 [0,2,0,0,0,0|2,0,0]=4 22629 B13R1.18 CN(CCCO)c1cccc(c1)O 269982a_100000756613_100011215043 [0,2,0,0,0,0|2,0,0]=4 22630 B13R1.18 CN(CCCO)c1cccc(c1)O 34a_100000756613_100000230001 [0,2,0,0,0,0|2,0,0]=4 22631 B13R1.18 COCCC(N)c1cccc(c1)Br 34a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 22632 B13R1.18 COCCC(N)c1cccc(c1)C 34a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 22633 B13R1.18 COCCC(N)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 22634 B13R1.18 COCCC(N)c1cccc(c1)F 34a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 22635 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 2230a_100015193778_100011217306 [0,2,0,0,0,0|2,0,0]=4 22636 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 34a_100015193778_100011217306 [0,2,0,0,0,0|2,0,0]=4 22637 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 2230a_100015193778_100000211926 [0,2,0,0,0,0|2,0,0]=4 22638 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 34a_100015193778_100000211926 [0,2,0,0,0,0|2,0,0]=4 22639 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 34a_100000747380_100011217306 [0,2,0,0,0,0|2,0,0]=4 22640 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 7a_100000747380_100011217306 [0,2,0,0,0,0|2,0,0]=4 22641 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 34a_100000747380_100000211926 [0,2,0,0,0,0|2,0,0]=4 22642 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 7a_100000747380_100000211926 [0,2,0,0,0,0|2,0,0]=4 22643 B13R1.18 Cc1cccc(c1)C(=O)CCCF 1458a_100000189346_100011934791 [0,2,0,0,0,0|1,0,1]=4 22644 B13R1.18 Cc1cccc(c1)C(=O)CCCO 1458a_100000189346_100011215043 [0,2,0,0,0,0|1,0,1]=4 22645 B13R1.18 Cc1cccc(c1)C(C)NCCF 269862a_100000724931_100000211476 [0,2,0,0,0,0|2,0,0]=4 22646 B13R1.18 Cc1cccc(c1)C(C)NCCO 269862a_100000210304_100000211476 [0,2,0,0,0,0|2,0,0]=4 22647 B13R1.18 Cc1cccc(c1)C(C)OCCF 34a_100000757818_100011217306 [0,2,0,0,0,0|2,0,0]=4 22648 B13R1.18 Cc1cccc(c1)C(C)OCCF 7a_100000757818_100011217306 [0,2,0,0,0,0|2,0,0]=4 22649 B13R1.18 Cc1cccc(c1)C(C)OCCO 34a_100000757818_100000211926 [0,2,0,0,0,0|2,0,0]=4 22650 B13R1.18 Cc1cccc(c1)C(C)OCCO 7a_100000757818_100000211926 [0,2,0,0,0,0|2,0,0]=4 22651 B13R1.18 Cc1cccc(c1)C(N)CCO[13CH3] 34a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 22652 B13R1.18 Cc1cccc(c1)N(C)CCCF 2230a_100000219674_100011934791 [0,2,0,0,0,0|2,0,0]=4 22653 B13R1.18 Cc1cccc(c1)N(C)CCCF 269982a_100000219674_100011934791 [0,2,0,0,0,0|2,0,0]=4 22654 B13R1.18 Cc1cccc(c1)N(C)CCCF 34a_100000219674_100011934791 [0,2,0,0,0,0|2,0,0]=4 22655 B13R1.18 Cc1cccc(c1)N(C)CCCO 2230a_100000219674_100000230001 [0,2,0,0,0,0|2,0,0]=4 22656 B13R1.18 Cc1cccc(c1)N(C)CCCO 269982a_100000219674_100011215043 [0,2,0,0,0,0|2,0,0]=4 22657 B13R1.18 Cc1cccc(c1)N(C)CCCO 34a_100000219674_100000230001 [0,2,0,0,0,0|2,0,0]=4 22658 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 2230a_100000698126_100011217306 [0,2,0,0,0,0|2,0,0]=4 22659 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 34a_100000698126_100011217306 [0,2,0,0,0,0|2,0,0]=4 22660 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 2230a_100000698126_100000211926 [0,2,0,0,0,0|2,0,0]=4 22661 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 34a_100000698126_100000211926 [0,2,0,0,0,0|2,0,0]=4 22662 B13R1.18 Cc1cccc(c1)[C@H](N)COCF 34a_100009818812_100015361967 [0,2,0,0,0,0|2,0,0]=4 22663 B13R1.18 NC(COCF)c1cccc(c1)Br 34a_100000690078_100015361967 [0,2,0,0,0,0|2,0,0]=4 22664 B13R1.18 N[C@@H](COCF)c1cccc(c1)Cl 34a_100032004910_100015361967 [0,2,0,0,0,0|2,0,0]=4 22665 B13R1.18 N[C@H](COCF)c1cccc(c1)F 34a_100020641251_100015361967 [0,2,0,0,0,0|2,0,0]=4 22666 B13R1.18 O=C(CCCF)c1cccc(c1)Br 1458a_100000210664_100011934791 [0,2,0,0,0,0|1,0,1]=4 22667 B13R1.18 O=C(CCCF)c1cccc(c1)Cl 1458a_100000210390_100011934791 [0,2,0,0,0,0|1,0,1]=4 22668 B13R1.18 O=C(CCCF)c1cccc(c1)F 1458a_100000210950_100011934791 [0,2,0,0,0,0|1,0,1]=4 22669 B13R1.18 O=C(CCCF)c1cccc(c1)I 1458a_100000184098_100011934791 [0,2,0,0,0,0|1,0,1]=4 22670 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [0,2,0,0,0,0|1,0,1]=4 22671 B13R1.18 O=C(CCCO)c1cccc(c1)Br 1458a_100000210664_100011215043 [0,2,0,0,0,0|1,0,1]=4 22672 B13R1.18 O=C(CCCO)c1cccc(c1)Cl 1458a_100000210390_100011215043 [0,2,0,0,0,0|1,0,1]=4 22673 B13R1.18 O=C(CCCO)c1cccc(c1)F 1458a_100000210950_100011215043 [0,2,0,0,0,0|1,0,1]=4 22674 B13R1.18 O=C(CCCO)c1cccc(c1)I 1458a_100000184098_100011215043 [0,2,0,0,0,0|1,0,1]=4 22675 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [0,2,0,0,0,0|1,0,1]=4 22676 B13R1.18 Oc1cccc(c1)C(O)CNCF 34a_100020657549_100015361967 [0,2,0,0,0,0|2,0,0]=4 22677 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Br 34a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 22678 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 22679 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)F 34a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 22680 B13R1.20 CC(CCO)Nc1cccc(c1)Br 34a_100000210019_100009893172 [0,2,0,0,0,0|2,0,0]=4 22681 B13R1.20 CC(CCO)Nc1cccc(c1)Cl 34a_100000185859_100009893172 [0,2,0,0,0,0|2,0,0]=4 22682 B13R1.20 CC(CCO)Nc1cccc(c1)F 34a_100000210047_100009893172 [0,2,0,0,0,0|2,0,0]=4 22683 B13R1.20 CC(CCO)Nc1cccc(c1)I 34a_100000211102_100009893172 [0,2,0,0,0,0|2,0,0]=4 22684 B13R1.20 CC(CCO)Nc1cccc(c1)O 34a_100000210217_100009893172 [0,2,0,0,0,0|2,0,0]=4 22685 B13R1.20 CC(CCO)Oc1cccc(c1)Br 34a_100000210342_100009893172 [0,2,0,0,0,0|2,0,0]=4 22686 B13R1.20 CC(CCO)Oc1cccc(c1)Br 7a_100000210342_100009893172 [0,2,0,0,0,0|2,0,0]=4 22687 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 34a_100000210295_100009893172 [0,2,0,0,0,0|2,0,0]=4 22688 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 7a_100000210295_100009893172 [0,2,0,0,0,0|2,0,0]=4 22689 B13R1.20 CC(CCO)Oc1cccc(c1)F 34a_100000210426_100009893172 [0,2,0,0,0,0|2,0,0]=4 22690 B13R1.20 CC(CCO)Oc1cccc(c1)F 7a_100000210426_100009893172 [0,2,0,0,0,0|2,0,0]=4 22691 B13R1.20 CC(CCO)Oc1cccc(c1)I 34a_100000211634_100009893172 [0,2,0,0,0,0|2,0,0]=4 22692 B13R1.20 CC(CCO)Oc1cccc(c1)I 7a_100000211634_100009893172 [0,2,0,0,0,0|2,0,0]=4 22693 B13R1.20 CC(CCO)Oc1cccc(c1)N 34a_100000210217_100009893172 [0,2,0,0,0,0|2,0,0]=4 22694 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100000691529_100009893172 [0,2,0,0,0,0|2,0,0]=4 22695 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100009893172_100000691529 [0,2,0,0,0,0|2,0,0]=4 22696 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100000699651_100009893172 [0,2,0,0,0,0|2,0,0]=4 22697 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100009893172_100000699651 [0,2,0,0,0,0|2,0,0]=4 22698 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100000685547_100009893172 [0,2,0,0,0,0|2,0,0]=4 22699 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100009893172_100000685547 [0,2,0,0,0,0|2,0,0]=4 22700 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100000210019_100009893172 [0,2,0,0,0,0|2,0,0]=4 22701 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100009893172_100000210019 [0,2,0,0,0,0|2,0,0]=4 22702 B13R1.20 CC(CCO)Sc1cccc(c1)O 62a_100009893172_100000211634 [0,2,0,0,0,0|2,0,0]=4 22703 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_100009893172_114929384022 [0,2,0,0,0,0|2,0,0]=4 22704 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_114929384022_100009893172 [0,2,0,0,0,0|2,0,0]=4 22705 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000211992_100000211773 [0,2,0,0,0,0|1,0,1]=4 22706 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210303 [0,2,0,0,0,0|1,0,1]=4 22707 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100000211992_100000211840 [0,2,0,0,0,0|1,0,1]=4 22708 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210303 [0,2,0,0,0,0|1,0,1]=4 22709 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000211992_100000181238 [0,2,0,0,0,0|1,0,1]=4 22710 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210303 [0,2,0,0,0,0|1,0,1]=4 22711 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210303 [0,2,0,0,0,0|1,0,1]=4 22712 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211992_100000230114 [0,2,0,0,0,0|1,0,1]=4 22713 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000211992_100011218688 [0,2,0,0,0,0|1,0,1]=4 22714 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210303 [0,2,0,0,0,0|1,0,1]=4 22715 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,2,0,0,0,0|1,0,1]=4 22716 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,2,0,0,0,0|1,0,1]=4 22717 B13R1.20 CCCC(C)Nc1cccc(c1)Br 34a_100000210019_100000766640 [0,2,0,0,0,0|2,0,0]=4 22718 B13R1.20 CCCC(C)Nc1cccc(c1)C 2230a_100000188690_100000766640 [0,2,0,0,0,0|2,0,0]=4 22719 B13R1.20 CCCC(C)Nc1cccc(c1)C 34a_100000188690_100000766640 [0,2,0,0,0,0|2,0,0]=4 22720 B13R1.20 CCCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000766640 [0,2,0,0,0,0|2,0,0]=4 22721 B13R1.20 CCCC(C)Nc1cccc(c1)F 34a_100000210047_100000766640 [0,2,0,0,0,0|2,0,0]=4 22722 B13R1.20 CCCC(C)Nc1cccc(c1)I 34a_100000211102_100000766640 [0,2,0,0,0,0|2,0,0]=4 22723 B13R1.20 CCCC(C)Nc1cccc(c1)O 34a_100000210217_100000766640 [0,2,0,0,0,0|2,0,0]=4 22724 B13R1.20 CCCC(C)Oc1cccc(c1)Br 34a_100000210342_100000766640 [0,2,0,0,0,0|2,0,0]=4 22725 B13R1.20 CCCC(C)Oc1cccc(c1)Br 7a_100000210342_100000766640 [0,2,0,0,0,0|2,0,0]=4 22726 B13R1.20 CCCC(C)Oc1cccc(c1)C 34a_100000210337_100000766640 [0,2,0,0,0,0|2,0,0]=4 22727 B13R1.20 CCCC(C)Oc1cccc(c1)C 7a_100000210337_100000766640 [0,2,0,0,0,0|2,0,0]=4 22728 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000766640 [0,2,0,0,0,0|2,0,0]=4 22729 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000766640 [0,2,0,0,0,0|2,0,0]=4 22730 B13R1.20 CCCC(C)Oc1cccc(c1)F 34a_100000210426_100000766640 [0,2,0,0,0,0|2,0,0]=4 22731 B13R1.20 CCCC(C)Oc1cccc(c1)F 7a_100000210426_100000766640 [0,2,0,0,0,0|2,0,0]=4 22732 B13R1.20 CCCC(C)Oc1cccc(c1)I 34a_100000211634_100000766640 [0,2,0,0,0,0|2,0,0]=4 22733 B13R1.20 CCCC(C)Oc1cccc(c1)I 7a_100000211634_100000766640 [0,2,0,0,0,0|2,0,0]=4 22734 B13R1.20 CCCC(C)Oc1cccc(c1)N 34a_100000210217_100000766640 [0,2,0,0,0,0|2,0,0]=4 22735 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000691529_100000766640 [0,2,0,0,0,0|2,0,0]=4 22736 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000766640_100000691529 [0,2,0,0,0,0|2,0,0]=4 22737 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100000766640_100011215228 [0,2,0,0,0,0|2,0,0]=4 22738 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100011215228_100000766640 [0,2,0,0,0,0|2,0,0]=4 22739 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000766640 [0,2,0,0,0,0|2,0,0]=4 22740 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000766640_100000699651 [0,2,0,0,0,0|2,0,0]=4 22741 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000685547_100000766640 [0,2,0,0,0,0|2,0,0]=4 22742 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000766640_100000685547 [0,2,0,0,0,0|2,0,0]=4 22743 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000210019_100000766640 [0,2,0,0,0,0|2,0,0]=4 22744 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000766640_100000210019 [0,2,0,0,0,0|2,0,0]=4 22745 B13R1.20 CCCC(C)Sc1cccc(c1)O 62a_100000766640_100000211634 [0,2,0,0,0,0|2,0,0]=4 22746 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_100000766640_114929384022 [0,2,0,0,0,0|2,0,0]=4 22747 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000766640 [0,2,0,0,0,0|2,0,0]=4 22748 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210303 [0,2,0,0,0,0|2,0,0]=4 22749 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000747261_100000698116 [0,2,0,0,0,0|2,0,0]=4 22750 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 22751 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210303 [0,2,0,0,0,0|2,0,0]=4 22752 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000747261_100000211773 [0,2,0,0,0,0|2,0,0]=4 22753 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 22754 B13R1.20 CCCN(C)Cc1cccc(c1)Br 26a_100000747261_100000210342 [0,2,0,0,0,0|2,0,0]=4 22755 B13R1.20 CCCN(C)Cc1cccc(c1)Br 270004a_100000747261_100000210085 [0,2,0,0,0,0|2,0,0]=4 22756 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_100000747261_100000211840 [0,2,0,0,0,0|2,0,0]=4 22757 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 22758 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_100000747261_100000211840 [0,2,0,0,0,0|2,0,0]=4 22759 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 22760 B13R1.20 CCCN(C)Cc1cccc(c1)C 270004a_100000747261_100000211157 [0,2,0,0,0,0|2,0,0]=4 22761 B13R1.20 CCCN(C)Cc1cccc(c1)C 34a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 22762 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100000747261_100000181238 [0,2,0,0,0,0|2,0,0]=4 22763 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 22764 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210303 [0,2,0,0,0,0|2,0,0]=4 22765 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100000747261_100000181238 [0,2,0,0,0,0|2,0,0]=4 22766 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 22767 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210303 [0,2,0,0,0,0|2,0,0]=4 22768 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 270004a_100000747261_100000210801 [0,2,0,0,0,0|2,0,0]=4 22769 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 34a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 22770 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 22771 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000747261_100000230114 [0,2,0,0,0,0|2,0,0]=4 22772 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 22773 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000747261_100000230114 [0,2,0,0,0,0|2,0,0]=4 22774 B13R1.20 CCCN(C)Cc1cccc(c1)F 270004a_100000747261_100000210812 [0,2,0,0,0,0|2,0,0]=4 22775 B13R1.20 CCCN(C)Cc1cccc(c1)F 34a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 22776 B13R1.20 CCCN(C)Cc1cccc(c1)I 2230a_100000747261_100011218688 [0,2,0,0,0,0|2,0,0]=4 22777 B13R1.20 CCCN(C)Cc1cccc(c1)I 269982a_100000747261_100011218688 [0,2,0,0,0,0|2,0,0]=4 22778 B13R1.20 CCCN(C)Cc1cccc(c1)I 270004a_100000747261_100000014684 [0,2,0,0,0,0|2,0,0]=4 22779 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210303 [0,2,0,0,0,0|2,0,0]=4 22780 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000747261_100011660834 [0,2,0,0,0,0|2,0,0]=4 22781 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210303 [0,2,0,0,0,0|2,0,0]=4 22782 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000747261_100000084143 [0,2,0,0,0,0|2,0,0]=4 22783 B13R1.20 CCCN(C)Cc1cccc(c1)O 270004a_100000747261_100000188321 [0,2,0,0,0,0|2,0,0]=4 22784 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 2230a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 22785 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 269982a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 22786 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 2230a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 22787 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 269982a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 22788 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 34a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 22789 B13R1.20 CCNC(C)Cc1cccc(c1)Br 270004a_100015525214_100000689217 [0,2,0,0,0,0|2,0,0]=4 22790 B13R1.20 CCNC(C)Cc1cccc(c1)Cl 270004a_100015525214_100000727212 [0,2,0,0,0,0|2,0,0]=4 22791 B13R1.20 CCNC(C)Cc1cccc(c1)F 270004a_100015525214_100000687711 [0,2,0,0,0,0|2,0,0]=4 22792 B13R1.20 CN(CCF)Cc1cccc(c1)Br 2230a_100000187585_100011217306 [0,2,0,0,0,0|2,0,0]=4 22793 B13R1.20 CN(CCF)Cc1cccc(c1)Br 269982a_100000187585_100011217306 [0,2,0,0,0,0|2,0,0]=4 22794 B13R1.20 CN(CCF)Cc1cccc(c1)Cl 2230a_100020629429_100011217306 [0,2,0,0,0,0|2,0,0]=4 22795 B13R1.20 CN(CCF)Cc1cccc(c1)Cl 269982a_100020629429_100011217306 [0,2,0,0,0,0|2,0,0]=4 22796 B13R1.20 CN(CCF)Cc1cccc(c1)F 2230a_100000184398_100011217306 [0,2,0,0,0,0|2,0,0]=4 22797 B13R1.20 CN(CCF)Cc1cccc(c1)F 269982a_100000184398_100011217306 [0,2,0,0,0,0|2,0,0]=4 22798 B13R1.20 CN(CCF)Cc1cccc(c1)F 34a_100000184398_100011217306 [0,2,0,0,0,0|2,0,0]=4 22799 B13R1.20 CN(CCF)Cc1cccc(c1)O 2230a_100000207540_100011217306 [0,2,0,0,0,0|2,0,0]=4 22800 B13R1.20 CN(CCF)Cc1cccc(c1)O 269982a_100000207540_100011217306 [0,2,0,0,0,0|2,0,0]=4 22801 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000187585_100000211926 [0,2,0,0,0,0|2,0,0]=4 22802 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000210263_100000698116 [0,2,0,0,0,0|2,0,0]=4 22803 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000187585_100000211926 [0,2,0,0,0,0|2,0,0]=4 22804 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000210263_100000211773 [0,2,0,0,0,0|2,0,0]=4 22805 B13R1.20 CN(CCO)Cc1cccc(c1)Br 26a_100000210263_100000210342 [0,2,0,0,0,0|2,0,0]=4 22806 B13R1.20 CN(CCO)Cc1cccc(c1)Br 270004a_100000210263_100000210085 [0,2,0,0,0,0|2,0,0]=4 22807 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000210263_100000181238 [0,2,0,0,0,0|2,0,0]=4 22808 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 22809 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100020629429_100000211926 [0,2,0,0,0,0|2,0,0]=4 22810 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000210263_100000181238 [0,2,0,0,0,0|2,0,0]=4 22811 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 22812 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100020629429_100000211926 [0,2,0,0,0,0|2,0,0]=4 22813 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 270004a_100000210263_100000210801 [0,2,0,0,0,0|2,0,0]=4 22814 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 34a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 22815 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 22816 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000210263_100000230114 [0,2,0,0,0,0|2,0,0]=4 22817 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 22818 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000210263_100000230114 [0,2,0,0,0,0|2,0,0]=4 22819 B13R1.20 CN(CCO)Cc1cccc(c1)F 270004a_100000210263_100000210812 [0,2,0,0,0,0|2,0,0]=4 22820 B13R1.20 CN(CCO)Cc1cccc(c1)F 34a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 22821 B13R1.20 CN(CCO)Cc1cccc(c1)I 2230a_100000210263_100011218688 [0,2,0,0,0,0|2,0,0]=4 22822 B13R1.20 CN(CCO)Cc1cccc(c1)I 269982a_100000210263_100011218688 [0,2,0,0,0,0|2,0,0]=4 22823 B13R1.20 CN(CCO)Cc1cccc(c1)I 270004a_100000210263_100000014684 [0,2,0,0,0,0|2,0,0]=4 22824 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000207540_100000211926 [0,2,0,0,0,0|2,0,0]=4 22825 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000210263_100011660834 [0,2,0,0,0,0|2,0,0]=4 22826 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000207540_100000211926 [0,2,0,0,0,0|2,0,0]=4 22827 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000210263_100000084143 [0,2,0,0,0,0|2,0,0]=4 22828 B13R1.20 CN(CCO)Cc1cccc(c1)O 270004a_100000210263_100000188321 [0,2,0,0,0,0|2,0,0]=4 22829 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,2,0,0,0,0|2,0,0]=4 22830 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,2,0,0,0,0|2,0,0]=4 22831 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,2,0,0,0,0|2,0,0]=4 22832 B13R1.20 Cc1cccc(c1)CC(=O)CCF 1458a_100011206899_100011217306 [0,2,0,0,0,0|1,0,1]=4 22833 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011206899_100000211926 [0,2,0,0,0,0|1,0,1]=4 22834 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011216618_100000211840 [0,2,0,0,0,0|1,0,1]=4 22835 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [0,2,0,0,0,0|2,0,0]=4 22836 B13R1.20 Cc1cccc(c1)CN(C)CCF 2230a_102495364743_100011217306 [0,2,0,0,0,0|2,0,0]=4 22837 B13R1.20 Cc1cccc(c1)CN(C)CCF 269982a_102495364743_100011217306 [0,2,0,0,0,0|2,0,0]=4 22838 B13R1.20 Cc1cccc(c1)CN(C)CCF 34a_102495364743_100011217306 [0,2,0,0,0,0|2,0,0]=4 22839 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_100000210263_100000211840 [0,2,0,0,0,0|2,0,0]=4 22840 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 22841 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_100000210263_100000211840 [0,2,0,0,0,0|2,0,0]=4 22842 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 22843 B13R1.20 Cc1cccc(c1)CN(C)CCO 270004a_100000210263_100000211157 [0,2,0,0,0,0|2,0,0]=4 22844 B13R1.20 Cc1cccc(c1)CN(C)CCO 34a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 22845 B13R1.20 Cc1cccc(c1)NC(C)CCO 2230a_100000188690_100009893172 [0,2,0,0,0,0|2,0,0]=4 22846 B13R1.20 Cc1cccc(c1)NC(C)CCO 34a_100000188690_100009893172 [0,2,0,0,0,0|2,0,0]=4 22847 B13R1.20 Cc1cccc(c1)OC(C)CCO 34a_100000210337_100009893172 [0,2,0,0,0,0|2,0,0]=4 22848 B13R1.20 Cc1cccc(c1)OC(C)CCO 7a_100000210337_100009893172 [0,2,0,0,0,0|2,0,0]=4 22849 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100009893172_100011215228 [0,2,0,0,0,0|2,0,0]=4 22850 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100011215228_100009893172 [0,2,0,0,0,0|2,0,0]=4 22851 B13R1.20 O=C(CCF)Cc1cccc(c1)Br 1458a_100000747190_100011217306 [0,2,0,0,0,0|1,0,1]=4 22852 B13R1.20 O=C(CCF)Cc1cccc(c1)Cl 1458a_100000749307_100011217306 [0,2,0,0,0,0|1,0,1]=4 22853 B13R1.20 O=C(CCF)Cc1cccc(c1)F 1458a_100000211661_100011217306 [0,2,0,0,0,0|1,0,1]=4 22854 B13R1.20 O=C(CCF)Cc1cccc(c1)I 1458a_100000238430_100011217306 [0,2,0,0,0,0|1,0,1]=4 22855 B13R1.20 O=C(CCF)Cc1cccc(c1)O 1458a_100000745134_100011217306 [0,2,0,0,0,0|1,0,1]=4 22856 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100000747190_100000211926 [0,2,0,0,0,0|1,0,1]=4 22857 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100011216618_100000211773 [0,2,0,0,0,0|1,0,1]=4 22858 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100000749307_100000211926 [0,2,0,0,0,0|1,0,1]=4 22859 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100011216618_100000181238 [0,2,0,0,0,0|1,0,1]=4 22860 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100000211661_100000211926 [0,2,0,0,0,0|1,0,1]=4 22861 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100011216618_100000230114 [0,2,0,0,0,0|1,0,1]=4 22862 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100000238430_100000211926 [0,2,0,0,0,0|1,0,1]=4 22863 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100011216618_100011218688 [0,2,0,0,0,0|1,0,1]=4 22864 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100000745134_100000211926 [0,2,0,0,0,0|1,0,1]=4 22865 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100011216618_100011660834 [0,2,0,0,0,0|1,0,1]=4 22866 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 22867 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 22868 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 34a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 22869 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,2,0,0,0,0|2,0,0]=4 22870 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,2,0,0,0,0|2,0,0]=4 22871 B13R1.55 BrCCOCc1cc(cc(c1)Br)Br 34a_100000211926_100011216082 [0,2,0,0,0,0|2,0,0]=4 22872 B13R1.55 BrCCOCc1cc(cc(c1)I)Br 34a_100000211926_100010146614 [0,2,0,0,0,0|2,0,0]=4 22873 B13R1.55 CCCCNc1cc(cc(c1)Br)Br 27a_100000102301_100009814770 [0,2,0,0,0,0|2,0,0]=4 22874 B13R1.55 CCCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000210210 [0,2,0,0,0,0|2,0,0]=4 22875 B13R1.55 CCCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000210211 [0,2,0,0,0,0|2,0,0]=4 22876 B13R1.55 CCCCNc1cc(cc(c1)Br)C 34a_100000695972_100000210210 [0,2,0,0,0,0|2,0,0]=4 22877 B13R1.55 CCCCNc1cc(cc(c1)Br)C 7a_100000695972_100000210211 [0,2,0,0,0,0|2,0,0]=4 22878 B13R1.55 CCCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000210210 [0,2,0,0,0,0|2,0,0]=4 22879 B13R1.55 CCCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000210211 [0,2,0,0,0,0|2,0,0]=4 22880 B13R1.55 CCCCNc1cc(cc(c1)Br)F 34a_100000705686_100000210210 [0,2,0,0,0,0|2,0,0]=4 22881 B13R1.55 CCCCNc1cc(cc(c1)Br)F 7a_100000705686_100000210211 [0,2,0,0,0,0|2,0,0]=4 22882 B13R1.55 CCCCNc1cc(cc(c1)C)C 2230a_100000210930_100000210211 [0,2,0,0,0,0|2,0,0]=4 22883 B13R1.55 CCCCNc1cc(cc(c1)C)C 34a_100000210930_100000210210 [0,2,0,0,0,0|2,0,0]=4 22884 B13R1.55 CCCCNc1cc(cc(c1)C)C 7a_100000210930_100000210211 [0,2,0,0,0,0|2,0,0]=4 22885 B13R1.55 CCCCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210211 [0,2,0,0,0,0|2,0,0]=4 22886 B13R1.55 CCCCNc1cc(cc(c1)Cl)C 34a_100012022512_100000210210 [0,2,0,0,0,0|2,0,0]=4 22887 B13R1.55 CCCCNc1cc(cc(c1)Cl)C 7a_100012022512_100000210211 [0,2,0,0,0,0|2,0,0]=4 22888 B13R1.55 CCCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000210210 [0,2,0,0,0,0|2,0,0]=4 22889 B13R1.55 CCCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210211 [0,2,0,0,0,0|2,0,0]=4 22890 B13R1.55 CCCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000210210 [0,2,0,0,0,0|2,0,0]=4 22891 B13R1.55 CCCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000210211 [0,2,0,0,0,0|2,0,0]=4 22892 B13R1.55 CCCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000210210 [0,2,0,0,0,0|2,0,0]=4 22893 B13R1.55 CCCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210211 [0,2,0,0,0,0|2,0,0]=4 22894 B13R1.55 CCCCNc1cc(cc(c1)F)C 2230a_100000742734_100000210211 [0,2,0,0,0,0|2,0,0]=4 22895 B13R1.55 CCCCNc1cc(cc(c1)F)C 34a_100000742734_100000210210 [0,2,0,0,0,0|2,0,0]=4 22896 B13R1.55 CCCCNc1cc(cc(c1)F)C 7a_100000742734_100000210211 [0,2,0,0,0,0|2,0,0]=4 22897 B13R1.55 CCCCNc1cc(cc(c1)F)F 34a_100000233717_100000210210 [0,2,0,0,0,0|2,0,0]=4 22898 B13R1.55 CCCCNc1cc(cc(c1)F)F 7a_100000233717_100000210211 [0,2,0,0,0,0|2,0,0]=4 22899 B13R1.55 CCCCNc1cc(cc(c1)I)Br 7a_100009814763_100000210211 [0,2,0,0,0,0|2,0,0]=4 22900 B13R1.55 CCCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000210211 [0,2,0,0,0,0|2,0,0]=4 22901 B13R1.55 CCCCNc1cc(cc(c1)I)F 34a_100011356972_100000210210 [0,2,0,0,0,0|2,0,0]=4 22902 B13R1.55 CCCCNc1cc(cc(c1)I)F 7a_100011356972_100000210211 [0,2,0,0,0,0|2,0,0]=4 22903 B13R1.55 CCCCNc1cc(cc(c1)I)I 7a_200000696836_100000210211 [0,2,0,0,0,0|2,0,0]=4 22904 B13R1.55 CCCCNc1cc(cc(c1)O)C 34a_100011995906_100000210210 [0,2,0,0,0,0|2,0,0]=4 22905 B13R1.55 CCCCNc1cc(cc(c1)O)C 7a_100011995906_100000210211 [0,2,0,0,0,0|2,0,0]=4 22906 B13R1.55 CCCCNc1cc(cc(c1)O)O 34a_100000043371_100000210210 [0,2,0,0,0,0|2,0,0]=4 22907 B13R1.55 CCCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000210210 [0,2,0,0,0,0|2,0,0]=4 22908 B13R1.55 CCCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210211 [0,2,0,0,0,0|2,0,0]=4 22909 B13R1.55 CCCCOc1cc(cc(c1)Br)C 34a_100011999630_100000210210 [0,2,0,0,0,0|2,0,0]=4 22910 B13R1.55 CCCCOc1cc(cc(c1)Br)C 7a_100011999630_100000210211 [0,2,0,0,0,0|2,0,0]=4 22911 B13R1.55 CCCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000210210 [0,2,0,0,0,0|2,0,0]=4 22912 B13R1.55 CCCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210211 [0,2,0,0,0,0|2,0,0]=4 22913 B13R1.55 CCCCOc1cc(cc(c1)Br)F 34a_100000688818_100000210210 [0,2,0,0,0,0|2,0,0]=4 22914 B13R1.55 CCCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210211 [0,2,0,0,0,0|2,0,0]=4 22915 B13R1.55 CCCCOc1cc(cc(c1)C)C 34a_100000210933_100000210210 [0,2,0,0,0,0|2,0,0]=4 22916 B13R1.55 CCCCOc1cc(cc(c1)C)C 7a_100000210933_100000210211 [0,2,0,0,0,0|2,0,0]=4 22917 B13R1.55 CCCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210210 [0,2,0,0,0,0|2,0,0]=4 22918 B13R1.55 CCCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210211 [0,2,0,0,0,0|2,0,0]=4 22919 B13R1.55 CCCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210210 [0,2,0,0,0,0|2,0,0]=4 22920 B13R1.55 CCCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210211 [0,2,0,0,0,0|2,0,0]=4 22921 B13R1.55 CCCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000210210 [0,2,0,0,0,0|2,0,0]=4 22922 B13R1.55 CCCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210211 [0,2,0,0,0,0|2,0,0]=4 22923 B13R1.55 CCCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000210210 [0,2,0,0,0,0|2,0,0]=4 22924 B13R1.55 CCCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210211 [0,2,0,0,0,0|2,0,0]=4 22925 B13R1.55 CCCCOc1cc(cc(c1)F)C 34a_100011830401_100000210210 [0,2,0,0,0,0|2,0,0]=4 22926 B13R1.55 CCCCOc1cc(cc(c1)F)C 7a_100011830401_100000210211 [0,2,0,0,0,0|2,0,0]=4 22927 B13R1.55 CCCCOc1cc(cc(c1)F)F 34a_100000747503_100000210210 [0,2,0,0,0,0|2,0,0]=4 22928 B13R1.55 CCCCOc1cc(cc(c1)F)F 7a_100000747503_100000210211 [0,2,0,0,0,0|2,0,0]=4 22929 B13R1.55 CCCCOc1cc(cc(c1)I)Br 34a_100010068917_100000210210 [0,2,0,0,0,0|2,0,0]=4 22930 B13R1.55 CCCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210211 [0,2,0,0,0,0|2,0,0]=4 22931 B13R1.55 CCCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000210210 [0,2,0,0,0,0|2,0,0]=4 22932 B13R1.55 CCCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210211 [0,2,0,0,0,0|2,0,0]=4 22933 B13R1.55 CCCCOc1cc(cc(c1)I)F 34a_100000717995_100000210210 [0,2,0,0,0,0|2,0,0]=4 22934 B13R1.55 CCCCOc1cc(cc(c1)I)F 7a_100000717995_100000210211 [0,2,0,0,0,0|2,0,0]=4 22935 B13R1.55 CCCCOc1cc(cc(c1)N)C 34a_100011995906_100000210210 [0,2,0,0,0,0|2,0,0]=4 22936 B13R1.55 CCCCOc1cc(cc(c1)N)C 7a_100011995906_100000210211 [0,2,0,0,0,0|2,0,0]=4 22937 B13R1.55 CCCCSc1cc(cc(c1)Br)Cl 62a_100000210211_100009814755 [0,2,0,0,0,0|2,0,0]=4 22938 B13R1.55 CCCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210210 [0,2,0,0,0,0|2,0,0]=4 22939 B13R1.55 CCCCSc1cc(cc(c1)Br)F 62a_100000210211_100009814764 [0,2,0,0,0,0|2,0,0]=4 22940 B13R1.55 CCCCSc1cc(cc(c1)Br)F 62a_100009814764_100000210210 [0,2,0,0,0,0|2,0,0]=4 22941 B13R1.55 CCCCSc1cc(cc(c1)Br)N 62a_100000210211_100009814763 [0,2,0,0,0,0|2,0,0]=4 22942 B13R1.55 CCCCSc1cc(cc(c1)Br)N 62a_100009814763_100000210210 [0,2,0,0,0,0|2,0,0]=4 22943 B13R1.55 CCCCSc1cc(cc(c1)Br)O 62a_100000210211_100010068917 [0,2,0,0,0,0|2,0,0]=4 22944 B13R1.55 CCCCSc1cc(cc(c1)Br)O 62a_100010068917_100000210210 [0,2,0,0,0,0|2,0,0]=4 22945 B13R1.55 CCCCSc1cc(cc(c1)C)C 62a_100000210211_100011215608 [0,2,0,0,0,0|2,0,0]=4 22946 B13R1.55 CCCCSc1cc(cc(c1)C)C 62a_100011215608_100000210210 [0,2,0,0,0,0|2,0,0]=4 22947 B13R1.55 CCCCSc1cc(cc(c1)Cl)C 62a_100000210211_100010172791 [0,2,0,0,0,0|2,0,0]=4 22948 B13R1.55 CCCCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210210 [0,2,0,0,0,0|2,0,0]=4 22949 B13R1.55 CCCCSc1cc(cc(c1)Cl)Cl 62a_100000210211_100000747138 [0,2,0,0,0,0|2,0,0]=4 22950 B13R1.55 CCCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210210 [0,2,0,0,0,0|2,0,0]=4 22951 B13R1.55 CCCCSc1cc(cc(c1)Cl)F 62a_100000210211_100013859453 [0,2,0,0,0,0|2,0,0]=4 22952 B13R1.55 CCCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210210 [0,2,0,0,0,0|2,0,0]=4 22953 B13R1.55 CCCCSc1cc(cc(c1)Cl)N 62a_100000210211_100010147676 [0,2,0,0,0,0|2,0,0]=4 22954 B13R1.55 CCCCSc1cc(cc(c1)Cl)N 62a_100010147676_100000210210 [0,2,0,0,0,0|2,0,0]=4 22955 B13R1.55 CCCCSc1cc(cc(c1)Cl)O 62a_100000210211_100010068924 [0,2,0,0,0,0|2,0,0]=4 22956 B13R1.55 CCCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210210 [0,2,0,0,0,0|2,0,0]=4 22957 B13R1.55 CCCCSc1cc(cc(c1)F)C 62a_100000210211_100011356977 [0,2,0,0,0,0|2,0,0]=4 22958 B13R1.55 CCCCSc1cc(cc(c1)F)C 62a_100011356977_100000210210 [0,2,0,0,0,0|2,0,0]=4 22959 B13R1.55 CCCCSc1cc(cc(c1)F)F 62a_100000210211_100000233788 [0,2,0,0,0,0|2,0,0]=4 22960 B13R1.55 CCCCSc1cc(cc(c1)F)F 62a_100000233788_100000210210 [0,2,0,0,0,0|2,0,0]=4 22961 B13R1.55 CCCCSc1cc(cc(c1)F)N 62a_100000210211_100011356972 [0,2,0,0,0,0|2,0,0]=4 22962 B13R1.55 CCCCSc1cc(cc(c1)F)N 62a_100011356972_100000210210 [0,2,0,0,0,0|2,0,0]=4 22963 B13R1.55 CCCCSc1cc(cc(c1)F)O 62a_100000210211_100000688818 [0,2,0,0,0,0|2,0,0]=4 22964 B13R1.55 CCCCSc1cc(cc(c1)F)O 62a_100000688818_100000210210 [0,2,0,0,0,0|2,0,0]=4 22965 B13R1.55 CCCCSc1cc(cc(c1)N)C 62a_100000210211_100000695972 [0,2,0,0,0,0|2,0,0]=4 22966 B13R1.55 CCCCSc1cc(cc(c1)N)C 62a_100000695972_100000210210 [0,2,0,0,0,0|2,0,0]=4 22967 B13R1.55 CCCCSc1cc(cc(c1)N)N 62a_100000210211_100011999608 [0,2,0,0,0,0|2,0,0]=4 22968 B13R1.55 CCCCSc1cc(cc(c1)N)N 62a_100011999608_100000210210 [0,2,0,0,0,0|2,0,0]=4 22969 B13R1.55 CCCCSc1cc(cc(c1)O)C 62a_100000210211_100011999630 [0,2,0,0,0,0|2,0,0]=4 22970 B13R1.55 CCCCSc1cc(cc(c1)O)O 62a_100000210211_100009868816 [0,2,0,0,0,0|2,0,0]=4 22971 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 207a_100020643023_100000719502 [0,2,0,0,0,0|2,0,0]=4 22972 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210303 [0,2,0,0,0,0|2,0,0]=4 22973 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 269862a_100020643023_100000719502 [0,2,0,0,0,0|2,0,0]=4 22974 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 270004a_100020643023_100000719502 [0,2,0,0,0,0|2,0,0]=4 22975 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 34a_100015211796_100000210303 [0,2,0,0,0,0|2,0,0]=4 22976 B13R1.55 CCCNCc1cc(cc(c1)Br)C 207a_100020643023_100000686105 [0,2,0,0,0,0|2,0,0]=4 22977 B13R1.55 CCCNCc1cc(cc(c1)Br)C 269862a_100020643023_100000686105 [0,2,0,0,0,0|2,0,0]=4 22978 B13R1.55 CCCNCc1cc(cc(c1)Br)C 270004a_100020643023_100000686105 [0,2,0,0,0,0|2,0,0]=4 22979 B13R1.55 CCCNCc1cc(cc(c1)Br)Cl 207a_100020643023_100011934515 [0,2,0,0,0,0|2,0,0]=4 22980 B13R1.55 CCCNCc1cc(cc(c1)Br)Cl 269862a_100020643023_100011934515 [0,2,0,0,0,0|2,0,0]=4 22981 B13R1.55 CCCNCc1cc(cc(c1)Br)Cl 270004a_100020643023_100011934515 [0,2,0,0,0,0|2,0,0]=4 22982 B13R1.55 CCCNCc1cc(cc(c1)Br)F 207a_100020643023_100011794424 [0,2,0,0,0,0|2,0,0]=4 22983 B13R1.55 CCCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000210303 [0,2,0,0,0,0|2,0,0]=4 22984 B13R1.55 CCCNCc1cc(cc(c1)Br)F 269862a_100020643023_100011794424 [0,2,0,0,0,0|2,0,0]=4 22985 B13R1.55 CCCNCc1cc(cc(c1)Br)F 270004a_100020643023_100011794424 [0,2,0,0,0,0|2,0,0]=4 22986 B13R1.55 CCCNCc1cc(cc(c1)Br)F 34a_100020611034_100000210303 [0,2,0,0,0,0|2,0,0]=4 22987 B13R1.55 CCCNCc1cc(cc(c1)Br)O 207a_100020643023_100010176088 [0,2,0,0,0,0|2,0,0]=4 22988 B13R1.55 CCCNCc1cc(cc(c1)Br)O 270004a_100020643023_100010176088 [0,2,0,0,0,0|2,0,0]=4 22989 B13R1.55 CCCNCc1cc(cc(c1)C)C 207a_100020643023_100000745632 [0,2,0,0,0,0|2,0,0]=4 22990 B13R1.55 CCCNCc1cc(cc(c1)C)C 2230a_100020591340_100000210303 [0,2,0,0,0,0|2,0,0]=4 22991 B13R1.55 CCCNCc1cc(cc(c1)C)C 270004a_100020643023_100000745632 [0,2,0,0,0,0|2,0,0]=4 22992 B13R1.55 CCCNCc1cc(cc(c1)C)C 34a_100020591340_100000210303 [0,2,0,0,0,0|2,0,0]=4 22993 B13R1.55 CCCNCc1cc(cc(c1)Cl)C 207a_100020643023_100000684525 [0,2,0,0,0,0|2,0,0]=4 22994 B13R1.55 CCCNCc1cc(cc(c1)Cl)C 270004a_100020643023_100000684525 [0,2,0,0,0,0|2,0,0]=4 22995 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 207a_100020643023_100000741761 [0,2,0,0,0,0|2,0,0]=4 22996 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210303 [0,2,0,0,0,0|2,0,0]=4 22997 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 270004a_100020643023_100000741761 [0,2,0,0,0,0|2,0,0]=4 22998 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000210303 [0,2,0,0,0,0|2,0,0]=4 22999 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 207a_100020643023_100000703917 [0,2,0,0,0,0|2,0,0]=4 23000 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210303 [0,2,0,0,0,0|2,0,0]=4 23001 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 269862a_100020643023_100000703917 [0,2,0,0,0,0|2,0,0]=4 23002 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 270004a_100020643023_100000703917 [0,2,0,0,0,0|2,0,0]=4 23003 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 34a_100137329012_100000210303 [0,2,0,0,0,0|2,0,0]=4 23004 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 207a_100020643023_100000050827 [0,2,0,0,0,0|2,0,0]=4 23005 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210303 [0,2,0,0,0,0|2,0,0]=4 23006 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 270004a_100020643023_100000050827 [0,2,0,0,0,0|2,0,0]=4 23007 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210303 [0,2,0,0,0,0|2,0,0]=4 23008 B13R1.55 CCCNCc1cc(cc(c1)F)C 207a_100020643023_100011217087 [0,2,0,0,0,0|2,0,0]=4 23009 B13R1.55 CCCNCc1cc(cc(c1)F)C 2230a_100011830484_100000210303 [0,2,0,0,0,0|2,0,0]=4 23010 B13R1.55 CCCNCc1cc(cc(c1)F)C 270004a_100020643023_100011217087 [0,2,0,0,0,0|2,0,0]=4 23011 B13R1.55 CCCNCc1cc(cc(c1)F)C 34a_100011830484_100000210303 [0,2,0,0,0,0|2,0,0]=4 23012 B13R1.55 CCCNCc1cc(cc(c1)F)F 207a_100020643023_100000743029 [0,2,0,0,0,0|2,0,0]=4 23013 B13R1.55 CCCNCc1cc(cc(c1)F)F 2230a_100000737602_100000210303 [0,2,0,0,0,0|2,0,0]=4 23014 B13R1.55 CCCNCc1cc(cc(c1)F)F 269862a_100020643023_100000743029 [0,2,0,0,0,0|2,0,0]=4 23015 B13R1.55 CCCNCc1cc(cc(c1)F)F 270004a_100020643023_100000743029 [0,2,0,0,0,0|2,0,0]=4 23016 B13R1.55 CCCNCc1cc(cc(c1)F)F 34a_100000737602_100000210303 [0,2,0,0,0,0|2,0,0]=4 23017 B13R1.55 CCCNCc1cc(cc(c1)F)O 207a_100020643023_100000703664 [0,2,0,0,0,0|2,0,0]=4 23018 B13R1.55 CCCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210303 [0,2,0,0,0,0|2,0,0]=4 23019 B13R1.55 CCCNCc1cc(cc(c1)F)O 270004a_100020643023_100000703664 [0,2,0,0,0,0|2,0,0]=4 23020 B13R1.55 CCCNCc1cc(cc(c1)F)O 34a_100160469513_100000210303 [0,2,0,0,0,0|2,0,0]=4 23021 B13R1.55 CCCNCc1cc(cc(c1)I)Br 207a_100020643023_100010185649 [0,2,0,0,0,0|2,0,0]=4 23022 B13R1.55 CCCNCc1cc(cc(c1)I)Br 269862a_100020643023_100010185649 [0,2,0,0,0,0|2,0,0]=4 23023 B13R1.55 CCCNCc1cc(cc(c1)I)Br 270004a_100020643023_100010185649 [0,2,0,0,0,0|2,0,0]=4 23024 B13R1.55 CCCNCc1cc(cc(c1)I)F 207a_100020643023_100010185655 [0,2,0,0,0,0|2,0,0]=4 23025 B13R1.55 CCCNCc1cc(cc(c1)I)F 269862a_100020643023_100010185655 [0,2,0,0,0,0|2,0,0]=4 23026 B13R1.55 CCCNCc1cc(cc(c1)I)F 270004a_100020643023_100010185655 [0,2,0,0,0,0|2,0,0]=4 23027 B13R1.55 CCCNCc1cc(cc(c1)I)I 207a_100020643023_100010185653 [0,2,0,0,0,0|2,0,0]=4 23028 B13R1.55 CCCNCc1cc(cc(c1)I)I 269862a_100020643023_100010185653 [0,2,0,0,0,0|2,0,0]=4 23029 B13R1.55 CCCNCc1cc(cc(c1)O)C 207a_100020643023_100009853434 [0,2,0,0,0,0|2,0,0]=4 23030 B13R1.55 CCCNCc1cc(cc(c1)O)C 270004a_100020643023_100009853434 [0,2,0,0,0,0|2,0,0]=4 23031 B13R1.55 CCCNCc1cc(cc(c1)O)O 207a_100020643023_100000043415 [0,2,0,0,0,0|2,0,0]=4 23032 B13R1.55 CCCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210303 [0,2,0,0,0,0|2,0,0]=4 23033 B13R1.55 CCCNCc1cc(cc(c1)O)O 34a_100159270720_100000210303 [0,2,0,0,0,0|2,0,0]=4 23034 B13R1.55 CCCOCc1cc(cc(c1)Br)Br 34a_100000210258_100011216082 [0,2,0,0,0,0|2,0,0]=4 23035 B13R1.55 CCCOCc1cc(cc(c1)Br)Br 34a_100011218366_100000210303 [0,2,0,0,0,0|2,0,0]=4 23036 B13R1.55 CCCOCc1cc(cc(c1)Br)Br 7a_100011218366_100000210303 [0,2,0,0,0,0|2,0,0]=4 23037 B13R1.55 CCCOCc1cc(cc(c1)Br)C 34a_100000210258_100012348363 [0,2,0,0,0,0|2,0,0]=4 23038 B13R1.55 CCCOCc1cc(cc(c1)Br)C 34a_100000720511_100000210303 [0,2,0,0,0,0|2,0,0]=4 23039 B13R1.55 CCCOCc1cc(cc(c1)Br)C 7a_100000720511_100000210303 [0,2,0,0,0,0|2,0,0]=4 23040 B13R1.55 CCCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100000210303 [0,2,0,0,0,0|2,0,0]=4 23041 B13R1.55 CCCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100000210303 [0,2,0,0,0,0|2,0,0]=4 23042 B13R1.55 CCCOCc1cc(cc(c1)Br)F 34a_100000210258_100000766940 [0,2,0,0,0,0|2,0,0]=4 23043 B13R1.55 CCCOCc1cc(cc(c1)Br)F 34a_100000766897_100000210303 [0,2,0,0,0,0|2,0,0]=4 23044 B13R1.55 CCCOCc1cc(cc(c1)Br)F 7a_100000766897_100000210303 [0,2,0,0,0,0|2,0,0]=4 23045 B13R1.55 CCCOCc1cc(cc(c1)C)C 34a_100000210258_100000181317 [0,2,0,0,0,0|2,0,0]=4 23046 B13R1.55 CCCOCc1cc(cc(c1)C)C 34a_100011216556_100000210303 [0,2,0,0,0,0|2,0,0]=4 23047 B13R1.55 CCCOCc1cc(cc(c1)C)C 7a_100011216556_100000210303 [0,2,0,0,0,0|2,0,0]=4 23048 B13R1.55 CCCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000210303 [0,2,0,0,0,0|2,0,0]=4 23049 B13R1.55 CCCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100000210303 [0,2,0,0,0,0|2,0,0]=4 23050 B13R1.55 CCCOCc1cc(cc(c1)Cl)F 34a_100000210258_100011219885 [0,2,0,0,0,0|2,0,0]=4 23051 B13R1.55 CCCOCc1cc(cc(c1)Cl)F 34a_100011217560_100000210303 [0,2,0,0,0,0|2,0,0]=4 23052 B13R1.55 CCCOCc1cc(cc(c1)Cl)F 7a_100011217560_100000210303 [0,2,0,0,0,0|2,0,0]=4 23053 B13R1.55 CCCOCc1cc(cc(c1)Cl)N 34a_100012002482_100000210303 [0,2,0,0,0,0|2,0,0]=4 23054 B13R1.55 CCCOCc1cc(cc(c1)Cl)N 7a_100012002482_100000210303 [0,2,0,0,0,0|2,0,0]=4 23055 B13R1.55 CCCOCc1cc(cc(c1)F)C 34a_100000210258_100011219130 [0,2,0,0,0,0|2,0,0]=4 23056 B13R1.55 CCCOCc1cc(cc(c1)F)C 34a_100011217934_100000210303 [0,2,0,0,0,0|2,0,0]=4 23057 B13R1.55 CCCOCc1cc(cc(c1)F)C 7a_100011217934_100000210303 [0,2,0,0,0,0|2,0,0]=4 23058 B13R1.55 CCCOCc1cc(cc(c1)F)F 34a_100000210258_100000697002 [0,2,0,0,0,0|2,0,0]=4 23059 B13R1.55 CCCOCc1cc(cc(c1)F)F 34a_100011215443_100000210303 [0,2,0,0,0,0|2,0,0]=4 23060 B13R1.55 CCCOCc1cc(cc(c1)F)F 7a_100011215443_100000210303 [0,2,0,0,0,0|2,0,0]=4 23061 B13R1.55 CCCOCc1cc(cc(c1)I)Br 34a_100000210258_100010146614 [0,2,0,0,0,0|2,0,0]=4 23062 B13R1.55 CCCOCc1cc(cc(c1)I)Br 7a_100009814756_100000210303 [0,2,0,0,0,0|2,0,0]=4 23063 B13R1.55 CCCOCc1cc(cc(c1)I)F 34a_100000210258_100010149605 [0,2,0,0,0,0|2,0,0]=4 23064 B13R1.55 CCCOCc1cc(cc(c1)I)F 34a_100010149598_100000210303 [0,2,0,0,0,0|2,0,0]=4 23065 B13R1.55 CCCOCc1cc(cc(c1)I)F 7a_100010149598_100000210303 [0,2,0,0,0,0|2,0,0]=4 23066 B13R1.55 CCCOCc1cc(cc(c1)I)I 7a_100010205817_100000210303 [0,2,0,0,0,0|2,0,0]=4 23067 B13R1.55 CCCOCc1cc(cc(c1)N)N 34a_100000032468_100000210303 [0,2,0,0,0,0|2,0,0]=4 23068 B13R1.55 CCCSCc1cc(cc(c1)Br)Br 62a_100000210303_100011216082 [0,2,0,0,0,0|2,0,0]=4 23069 B13R1.55 CCCSCc1cc(cc(c1)Br)Br 62a_100011216082_100000210303 [0,2,0,0,0,0|2,0,0]=4 23070 B13R1.55 CCCSCc1cc(cc(c1)Br)C 62a_100000210303_100012348363 [0,2,0,0,0,0|2,0,0]=4 23071 B13R1.55 CCCSCc1cc(cc(c1)Br)C 62a_100012348363_100000210303 [0,2,0,0,0,0|2,0,0]=4 23072 B13R1.55 CCCSCc1cc(cc(c1)Br)F 62a_100000210303_100000766940 [0,2,0,0,0,0|2,0,0]=4 23073 B13R1.55 CCCSCc1cc(cc(c1)Br)F 62a_100000766940_100000210303 [0,2,0,0,0,0|2,0,0]=4 23074 B13R1.55 CCCSCc1cc(cc(c1)C)C 62a_100000181317_100000210303 [0,2,0,0,0,0|2,0,0]=4 23075 B13R1.55 CCCSCc1cc(cc(c1)C)C 62a_100000210303_100000181317 [0,2,0,0,0,0|2,0,0]=4 23076 B13R1.55 CCCSCc1cc(cc(c1)Cl)Cl 62a_100000210303_100011219208 [0,2,0,0,0,0|2,0,0]=4 23077 B13R1.55 CCCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000210303 [0,2,0,0,0,0|2,0,0]=4 23078 B13R1.55 CCCSCc1cc(cc(c1)Cl)F 62a_100000210303_100011219885 [0,2,0,0,0,0|2,0,0]=4 23079 B13R1.55 CCCSCc1cc(cc(c1)Cl)F 62a_100011219885_100000210303 [0,2,0,0,0,0|2,0,0]=4 23080 B13R1.55 CCCSCc1cc(cc(c1)F)C 62a_100000210303_100011219130 [0,2,0,0,0,0|2,0,0]=4 23081 B13R1.55 CCCSCc1cc(cc(c1)F)C 62a_100011219130_100000210303 [0,2,0,0,0,0|2,0,0]=4 23082 B13R1.55 CCCSCc1cc(cc(c1)F)F 62a_100000210303_100000697002 [0,2,0,0,0,0|2,0,0]=4 23083 B13R1.55 CCCSCc1cc(cc(c1)F)F 62a_100000697002_100000210303 [0,2,0,0,0,0|2,0,0]=4 23084 B13R1.55 CCCSCc1cc(cc(c1)I)Br 62a_100000210303_100010146614 [0,2,0,0,0,0|2,0,0]=4 23085 B13R1.55 CCCSCc1cc(cc(c1)I)Br 62a_100010146614_100000210303 [0,2,0,0,0,0|2,0,0]=4 23086 B13R1.55 CCCSCc1cc(cc(c1)I)F 62a_100000210303_100010149605 [0,2,0,0,0,0|2,0,0]=4 23087 B13R1.55 CCCSCc1cc(cc(c1)I)F 62a_100010149605_100000210303 [0,2,0,0,0,0|2,0,0]=4 23088 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000210202 [0,2,0,0,0,0|2,0,0]=4 23089 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 2230a_100015525214_100000691793 [0,2,0,0,0,0|2,0,0]=4 23090 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000210202 [0,2,0,0,0,0|2,0,0]=4 23091 B13R1.55 CCNCCc1cc(cc(c1)F)F 2230a_100000748410_100000210202 [0,2,0,0,0,0|2,0,0]=4 23092 B13R1.55 CCNCCc1cc(cc(c1)F)F 2230a_100015525214_100011754442 [0,2,0,0,0,0|2,0,0]=4 23093 B13R1.55 CCNCCc1cc(cc(c1)F)F 34a_100000748410_100000210202 [0,2,0,0,0,0|2,0,0]=4 23094 B13R1.55 CCOCCc1cc(cc(c1)Br)Br 34a_100010243668_100000210202 [0,2,0,0,0,0|2,0,0]=4 23095 B13R1.55 CCOCCc1cc(cc(c1)Br)Br 7a_100010243668_100000210202 [0,2,0,0,0,0|2,0,0]=4 23096 B13R1.55 CCOCCc1cc(cc(c1)Br)F 34a_100012630564_100000210202 [0,2,0,0,0,0|2,0,0]=4 23097 B13R1.55 CCOCCc1cc(cc(c1)Br)F 7a_100012630564_100000210202 [0,2,0,0,0,0|2,0,0]=4 23098 B13R1.55 CCOCCc1cc(cc(c1)Cl)Cl 34a_100000720051_100000210202 [0,2,0,0,0,0|2,0,0]=4 23099 B13R1.55 CCOCCc1cc(cc(c1)Cl)Cl 34a_100121572206_100000691793 [0,2,0,0,0,0|2,0,0]=4 23100 B13R1.55 CCOCCc1cc(cc(c1)Cl)Cl 7a_100000720051_100000210202 [0,2,0,0,0,0|2,0,0]=4 23101 B13R1.55 CCOCCc1cc(cc(c1)F)F 34a_100011754358_100000210202 [0,2,0,0,0,0|2,0,0]=4 23102 B13R1.55 CCOCCc1cc(cc(c1)F)F 34a_100121572206_100011754442 [0,2,0,0,0,0|2,0,0]=4 23103 B13R1.55 CCOCCc1cc(cc(c1)F)F 7a_100011754358_100000210202 [0,2,0,0,0,0|2,0,0]=4 23104 B13R1.55 CCSCCc1cc(cc(c1)Cl)Cl 62a_100000210202_100000691793 [0,2,0,0,0,0|2,0,0]=4 23105 B13R1.55 CCSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_100000210202 [0,2,0,0,0,0|2,0,0]=4 23106 B13R1.55 CCSCCc1cc(cc(c1)F)F 62a_100000210202_100011754442 [0,2,0,0,0,0|2,0,0]=4 23107 B13R1.55 CCSCCc1cc(cc(c1)F)F 62a_100011754442_100000210202 [0,2,0,0,0,0|2,0,0]=4 23108 B13R1.55 COCCCc1cc(cc(c1)F)F 34a_100011999496_200000210301 [0,2,0,0,0,0|2,0,0]=4 23109 B13R1.55 COCCCc1cc(cc(c1)F)F 7a_100011999496_200000210301 [0,2,0,0,0,0|2,0,0]=4 23110 B13R1.55 Cc1cc(cc(c1)CNCCF)Br 269862a_100000724931_100000686105 [0,2,0,0,0,0|2,0,0]=4 23111 B13R1.55 Cc1cc(cc(c1)CNCCF)Br 34a_100000724931_100012348363 [0,2,0,0,0,0|2,0,0]=4 23112 B13R1.55 Cc1cc(cc(c1)CNCCF)C 2230a_100020591340_100011217306 [0,2,0,0,0,0|2,0,0]=4 23113 B13R1.55 Cc1cc(cc(c1)CNCCF)C 34a_100000724931_100000181317 [0,2,0,0,0,0|2,0,0]=4 23114 B13R1.55 Cc1cc(cc(c1)CNCCF)C 34a_100020591340_100011217306 [0,2,0,0,0,0|2,0,0]=4 23115 B13R1.55 Cc1cc(cc(c1)CNCCF)F 2230a_100011830484_100011217306 [0,2,0,0,0,0|2,0,0]=4 23116 B13R1.55 Cc1cc(cc(c1)CNCCF)F 34a_100000724931_100011219130 [0,2,0,0,0,0|2,0,0]=4 23117 B13R1.55 Cc1cc(cc(c1)CNCCF)F 34a_100011830484_100011217306 [0,2,0,0,0,0|2,0,0]=4 23118 B13R1.55 Cc1cc(cc(c1)CNCCO)Br 207a_100000210304_100000686105 [0,2,0,0,0,0|2,0,0]=4 23119 B13R1.55 Cc1cc(cc(c1)CNCCO)Br 2230a_100016997473_100012348363 [0,2,0,0,0,0|2,0,0]=4 23120 B13R1.55 Cc1cc(cc(c1)CNCCO)Br 269862a_100000210304_100000686105 [0,2,0,0,0,0|2,0,0]=4 23121 B13R1.55 Cc1cc(cc(c1)CNCCO)Br 270004a_100000210304_100000686105 [0,2,0,0,0,0|2,0,0]=4 23122 B13R1.55 Cc1cc(cc(c1)CNCCO)Br 34a_100016990907_100012348363 [0,2,0,0,0,0|2,0,0]=4 23123 B13R1.55 Cc1cc(cc(c1)CNCCO)C 207a_100000210304_100000745632 [0,2,0,0,0,0|2,0,0]=4 23124 B13R1.55 Cc1cc(cc(c1)CNCCO)C 2230a_100016997473_100000181317 [0,2,0,0,0,0|2,0,0]=4 23125 B13R1.55 Cc1cc(cc(c1)CNCCO)C 2230a_100020591340_100000211926 [0,2,0,0,0,0|2,0,0]=4 23126 B13R1.55 Cc1cc(cc(c1)CNCCO)C 270004a_100000210304_100000745632 [0,2,0,0,0,0|2,0,0]=4 23127 B13R1.55 Cc1cc(cc(c1)CNCCO)C 34a_100016990907_100000181317 [0,2,0,0,0,0|2,0,0]=4 23128 B13R1.55 Cc1cc(cc(c1)CNCCO)C 34a_100020591340_100000211926 [0,2,0,0,0,0|2,0,0]=4 23129 B13R1.55 Cc1cc(cc(c1)CNCCO)Cl 207a_100000210304_100000684525 [0,2,0,0,0,0|2,0,0]=4 23130 B13R1.55 Cc1cc(cc(c1)CNCCO)Cl 270004a_100000210304_100000684525 [0,2,0,0,0,0|2,0,0]=4 23131 B13R1.55 Cc1cc(cc(c1)CNCCO)F 207a_100000210304_100011217087 [0,2,0,0,0,0|2,0,0]=4 23132 B13R1.55 Cc1cc(cc(c1)CNCCO)F 2230a_100011830484_100000211926 [0,2,0,0,0,0|2,0,0]=4 23133 B13R1.55 Cc1cc(cc(c1)CNCCO)F 2230a_100016997473_100011219130 [0,2,0,0,0,0|2,0,0]=4 23134 B13R1.55 Cc1cc(cc(c1)CNCCO)F 270004a_100000210304_100011217087 [0,2,0,0,0,0|2,0,0]=4 23135 B13R1.55 Cc1cc(cc(c1)CNCCO)F 34a_100011830484_100000211926 [0,2,0,0,0,0|2,0,0]=4 23136 B13R1.55 Cc1cc(cc(c1)CNCCO)F 34a_100016990907_100011219130 [0,2,0,0,0,0|2,0,0]=4 23137 B13R1.55 Cc1cc(cc(c1)CNCCO)O 207a_100000210304_100009853434 [0,2,0,0,0,0|2,0,0]=4 23138 B13R1.55 Cc1cc(cc(c1)CNCCO)O 270004a_100000210304_100009853434 [0,2,0,0,0,0|2,0,0]=4 23139 B13R1.55 Cc1cc(cc(c1)COCCBr)Br 34a_100000211926_100012348363 [0,2,0,0,0,0|2,0,0]=4 23140 B13R1.55 Cc1cc(cc(c1)COCCBr)C 34a_100000211926_100000181317 [0,2,0,0,0,0|2,0,0]=4 23141 B13R1.55 Cc1cc(cc(c1)COCCBr)F 34a_100000211926_100011219130 [0,2,0,0,0,0|2,0,0]=4 23142 B13R1.55 Cc1cc(cc(c1)COCCF)Br 34a_100000720511_100011217306 [0,2,0,0,0,0|2,0,0]=4 23143 B13R1.55 Cc1cc(cc(c1)COCCF)Br 7a_100000720511_100011217306 [0,2,0,0,0,0|2,0,0]=4 23144 B13R1.55 Cc1cc(cc(c1)COCCF)C 34a_100011216556_100011217306 [0,2,0,0,0,0|2,0,0]=4 23145 B13R1.55 Cc1cc(cc(c1)COCCF)C 7a_100011216556_100011217306 [0,2,0,0,0,0|2,0,0]=4 23146 B13R1.55 Cc1cc(cc(c1)COCCF)F 34a_100011217934_100011217306 [0,2,0,0,0,0|2,0,0]=4 23147 B13R1.55 Cc1cc(cc(c1)COCCF)F 7a_100011217934_100011217306 [0,2,0,0,0,0|2,0,0]=4 23148 B13R1.55 Cc1cc(cc(c1)COCCN)Br 34a_100000210304_100012348363 [0,2,0,0,0,0|1,0,0]=3 23149 B13R1.55 Cc1cc(cc(c1)COCCN)C 34a_100000210304_100000181317 [0,2,0,0,0,0|1,0,0]=3 23150 B13R1.55 Cc1cc(cc(c1)COCCN)F 34a_100000210304_100011219130 [0,2,0,0,0,0|1,0,0]=3 23151 B13R1.55 Cc1cc(cc(c1)COCCO)Br 34a_100000720511_100000211926 [0,2,0,0,0,0|2,0,0]=4 23152 B13R1.55 Cc1cc(cc(c1)COCCO)Br 7a_100000720511_100000211926 [0,2,0,0,0,0|2,0,0]=4 23153 B13R1.55 Cc1cc(cc(c1)COCCO)C 34a_100011216556_100000211926 [0,2,0,0,0,0|2,0,0]=4 23154 B13R1.55 Cc1cc(cc(c1)COCCO)C 7a_100011216556_100000211926 [0,2,0,0,0,0|2,0,0]=4 23155 B13R1.55 Cc1cc(cc(c1)COCCO)F 34a_100011217934_100000211926 [0,2,0,0,0,0|2,0,0]=4 23156 B13R1.55 Cc1cc(cc(c1)COCCO)F 7a_100011217934_100000211926 [0,2,0,0,0,0|2,0,0]=4 23157 B13R1.55 Cc1cc(cc(c1)CSCCF)Br 62a_100011217306_100012348363 [0,2,0,0,0,0|2,0,0]=4 23158 B13R1.55 Cc1cc(cc(c1)CSCCF)Br 62a_100012348363_100011217306 [0,2,0,0,0,0|2,0,0]=4 23159 B13R1.55 Cc1cc(cc(c1)CSCCF)C 62a_100000181317_100011217306 [0,2,0,0,0,0|2,0,0]=4 23160 B13R1.55 Cc1cc(cc(c1)CSCCF)C 62a_100011217306_100000181317 [0,2,0,0,0,0|2,0,0]=4 23161 B13R1.55 Cc1cc(cc(c1)CSCCF)F 62a_100011217306_100011219130 [0,2,0,0,0,0|2,0,0]=4 23162 B13R1.55 Cc1cc(cc(c1)CSCCF)F 62a_100011219130_100011217306 [0,2,0,0,0,0|2,0,0]=4 23163 B13R1.55 Cc1cc(cc(c1)CSCCO)Br 62a_100000211926_100012348363 [0,2,0,0,0,0|2,0,0]=4 23164 B13R1.55 Cc1cc(cc(c1)CSCCO)Br 62a_100012348363_100000211926 [0,2,0,0,0,0|2,0,0]=4 23165 B13R1.55 Cc1cc(cc(c1)CSCCO)C 62a_100000181317_100000211926 [0,2,0,0,0,0|2,0,0]=4 23166 B13R1.55 Cc1cc(cc(c1)CSCCO)C 62a_100000211926_100000181317 [0,2,0,0,0,0|2,0,0]=4 23167 B13R1.55 Cc1cc(cc(c1)CSCCO)F 62a_100000211926_100011219130 [0,2,0,0,0,0|2,0,0]=4 23168 B13R1.55 Cc1cc(cc(c1)CSCCO)F 62a_100011219130_100000211926 [0,2,0,0,0,0|2,0,0]=4 23169 B13R1.55 Cc1cc(cc(c1)NCCCF)Br 34a_100000695972_100011934791 [0,2,0,0,0,0|2,0,0]=4 23170 B13R1.55 Cc1cc(cc(c1)NCCCF)Br 7a_100000695972_100011934791 [0,2,0,0,0,0|2,0,0]=4 23171 B13R1.55 Cc1cc(cc(c1)NCCCF)C 2230a_100000210930_100011934791 [0,2,0,0,0,0|2,0,0]=4 23172 B13R1.55 Cc1cc(cc(c1)NCCCF)C 34a_100000210930_100011934791 [0,2,0,0,0,0|2,0,0]=4 23173 B13R1.55 Cc1cc(cc(c1)NCCCF)C 7a_100000210930_100011934791 [0,2,0,0,0,0|2,0,0]=4 23174 B13R1.55 Cc1cc(cc(c1)NCCCF)Cl 2230a_100012022512_100011934791 [0,2,0,0,0,0|2,0,0]=4 23175 B13R1.55 Cc1cc(cc(c1)NCCCF)Cl 34a_100012022512_100011934791 [0,2,0,0,0,0|2,0,0]=4 23176 B13R1.55 Cc1cc(cc(c1)NCCCF)Cl 7a_100012022512_100011934791 [0,2,0,0,0,0|2,0,0]=4 23177 B13R1.55 Cc1cc(cc(c1)NCCCF)F 2230a_100000742734_100011934791 [0,2,0,0,0,0|2,0,0]=4 23178 B13R1.55 Cc1cc(cc(c1)NCCCF)F 34a_100000742734_100011934791 [0,2,0,0,0,0|2,0,0]=4 23179 B13R1.55 Cc1cc(cc(c1)NCCCF)F 7a_100000742734_100011934791 [0,2,0,0,0,0|2,0,0]=4 23180 B13R1.55 Cc1cc(cc(c1)NCCCF)O 34a_100011995906_100011934791 [0,2,0,0,0,0|2,0,0]=4 23181 B13R1.55 Cc1cc(cc(c1)NCCCF)O 7a_100011995906_100011934791 [0,2,0,0,0,0|2,0,0]=4 23182 B13R1.55 Cc1cc(cc(c1)NCCCO)Br 34a_100000695972_100000230001 [0,2,0,0,0,0|2,0,0]=4 23183 B13R1.55 Cc1cc(cc(c1)NCCCO)Br 7a_100000695972_100011215043 [0,2,0,0,0,0|2,0,0]=4 23184 B13R1.55 Cc1cc(cc(c1)NCCCO)C 2230a_100000210930_100000230001 [0,2,0,0,0,0|2,0,0]=4 23185 B13R1.55 Cc1cc(cc(c1)NCCCO)C 34a_100000210930_100000230001 [0,2,0,0,0,0|2,0,0]=4 23186 B13R1.55 Cc1cc(cc(c1)NCCCO)C 7a_100000210930_100011215043 [0,2,0,0,0,0|2,0,0]=4 23187 B13R1.55 Cc1cc(cc(c1)NCCCO)Cl 2230a_100012022512_100000230001 [0,2,0,0,0,0|2,0,0]=4 23188 B13R1.55 Cc1cc(cc(c1)NCCCO)Cl 34a_100012022512_100000230001 [0,2,0,0,0,0|2,0,0]=4 23189 B13R1.55 Cc1cc(cc(c1)NCCCO)Cl 7a_100012022512_100011215043 [0,2,0,0,0,0|2,0,0]=4 23190 B13R1.55 Cc1cc(cc(c1)NCCCO)F 2230a_100000742734_100000230001 [0,2,0,0,0,0|2,0,0]=4 23191 B13R1.55 Cc1cc(cc(c1)NCCCO)F 34a_100000742734_100000230001 [0,2,0,0,0,0|2,0,0]=4 23192 B13R1.55 Cc1cc(cc(c1)NCCCO)F 7a_100000742734_100011215043 [0,2,0,0,0,0|2,0,0]=4 23193 B13R1.55 Cc1cc(cc(c1)NCCCO)O 34a_100011995906_100000230001 [0,2,0,0,0,0|2,0,0]=4 23194 B13R1.55 Cc1cc(cc(c1)NCCCO)O 7a_100011995906_100011215043 [0,2,0,0,0,0|2,0,0]=4 23195 B13R1.55 Cc1cc(cc(c1)OCCCF)Br 34a_100011999630_100011934791 [0,2,0,0,0,0|2,0,0]=4 23196 B13R1.55 Cc1cc(cc(c1)OCCCF)Br 7a_100011999630_100011934791 [0,2,0,0,0,0|2,0,0]=4 23197 B13R1.55 Cc1cc(cc(c1)OCCCF)C 34a_100000210933_100011934791 [0,2,0,0,0,0|2,0,0]=4 23198 B13R1.55 Cc1cc(cc(c1)OCCCF)C 7a_100000210933_100011934791 [0,2,0,0,0,0|2,0,0]=4 23199 B13R1.55 Cc1cc(cc(c1)OCCCF)Cl 34a_100000087485_100011934791 [0,2,0,0,0,0|2,0,0]=4 23200 B13R1.55 Cc1cc(cc(c1)OCCCF)Cl 7a_100000087485_100011934791 [0,2,0,0,0,0|2,0,0]=4 23201 B13R1.55 Cc1cc(cc(c1)OCCCF)F 34a_100011830401_100011934791 [0,2,0,0,0,0|2,0,0]=4 23202 B13R1.55 Cc1cc(cc(c1)OCCCF)F 7a_100011830401_100011934791 [0,2,0,0,0,0|2,0,0]=4 23203 B13R1.55 Cc1cc(cc(c1)OCCCF)N 34a_100011995906_100011934791 [0,2,0,0,0,0|2,0,0]=4 23204 B13R1.55 Cc1cc(cc(c1)OCCCF)N 7a_100011995906_100011934791 [0,2,0,0,0,0|2,0,0]=4 23205 B13R1.55 Cc1cc(cc(c1)OCCCO)Br 34a_100011999630_100000230001 [0,2,0,0,0,0|2,0,0]=4 23206 B13R1.55 Cc1cc(cc(c1)OCCCO)Br 7a_100011999630_100011215043 [0,2,0,0,0,0|2,0,0]=4 23207 B13R1.55 Cc1cc(cc(c1)OCCCO)C 34a_100000210933_100000230001 [0,2,0,0,0,0|2,0,0]=4 23208 B13R1.55 Cc1cc(cc(c1)OCCCO)C 7a_100000210933_100011215043 [0,2,0,0,0,0|2,0,0]=4 23209 B13R1.55 Cc1cc(cc(c1)OCCCO)Cl 34a_100000087485_100000230001 [0,2,0,0,0,0|2,0,0]=4 23210 B13R1.55 Cc1cc(cc(c1)OCCCO)Cl 7a_100000087485_100011215043 [0,2,0,0,0,0|2,0,0]=4 23211 B13R1.55 Cc1cc(cc(c1)OCCCO)F 34a_100011830401_100000230001 [0,2,0,0,0,0|2,0,0]=4 23212 B13R1.55 Cc1cc(cc(c1)OCCCO)F 7a_100011830401_100011215043 [0,2,0,0,0,0|2,0,0]=4 23213 B13R1.55 Cc1cc(cc(c1)OCCCO)N 34a_100011995906_100000230001 [0,2,0,0,0,0|2,0,0]=4 23214 B13R1.55 Cc1cc(cc(c1)OCCCO)N 7a_100011995906_100011215043 [0,2,0,0,0,0|2,0,0]=4 23215 B13R1.55 Cc1cc(cc(c1)SCCCF)C 62a_100011215608_100011934791 [0,2,0,0,0,0|2,0,0]=4 23216 B13R1.55 Cc1cc(cc(c1)SCCCF)C 62a_100011934791_100011215608 [0,2,0,0,0,0|2,0,0]=4 23217 B13R1.55 Cc1cc(cc(c1)SCCCF)Cl 62a_100010172791_100011934791 [0,2,0,0,0,0|2,0,0]=4 23218 B13R1.55 Cc1cc(cc(c1)SCCCF)Cl 62a_100011934791_100010172791 [0,2,0,0,0,0|2,0,0]=4 23219 B13R1.55 Cc1cc(cc(c1)SCCCF)F 62a_100011356977_100011934791 [0,2,0,0,0,0|2,0,0]=4 23220 B13R1.55 Cc1cc(cc(c1)SCCCF)F 62a_100011934791_100011356977 [0,2,0,0,0,0|2,0,0]=4 23221 B13R1.55 Cc1cc(cc(c1)SCCCF)N 62a_100000695972_100011934791 [0,2,0,0,0,0|2,0,0]=4 23222 B13R1.55 Cc1cc(cc(c1)SCCCF)N 62a_100011934791_100000695972 [0,2,0,0,0,0|2,0,0]=4 23223 B13R1.55 Cc1cc(cc(c1)SCCCF)O 62a_100011934791_100011999630 [0,2,0,0,0,0|2,0,0]=4 23224 B13R1.55 Cc1cc(cc(c1)SCCCO)C 62a_100011215043_100011215608 [0,2,0,0,0,0|2,0,0]=4 23225 B13R1.55 Cc1cc(cc(c1)SCCCO)C 62a_100011215608_100011215043 [0,2,0,0,0,0|2,0,0]=4 23226 B13R1.55 Cc1cc(cc(c1)SCCCO)Cl 62a_100010172791_100011215043 [0,2,0,0,0,0|2,0,0]=4 23227 B13R1.55 Cc1cc(cc(c1)SCCCO)Cl 62a_100011215043_100010172791 [0,2,0,0,0,0|2,0,0]=4 23228 B13R1.55 Cc1cc(cc(c1)SCCCO)F 62a_100011215043_100011356977 [0,2,0,0,0,0|2,0,0]=4 23229 B13R1.55 Cc1cc(cc(c1)SCCCO)F 62a_100011356977_100011215043 [0,2,0,0,0,0|2,0,0]=4 23230 B13R1.55 Cc1cc(cc(c1)SCCCO)N 62a_100000695972_100011215043 [0,2,0,0,0,0|2,0,0]=4 23231 B13R1.55 Cc1cc(cc(c1)SCCCO)N 62a_100011215043_100000695972 [0,2,0,0,0,0|2,0,0]=4 23232 B13R1.55 Cc1cc(cc(c1)SCCCO)O 62a_100011215043_100011999630 [0,2,0,0,0,0|2,0,0]=4 23233 B13R1.55 Cc1cc(cc(n1)C)COCCN 34a_100000210304_200000139866 [0,2,0,0,0,0|2,0,0]=4 23234 B13R1.55 Cc1cc(nc(c1)COCCN)C 34a_100000210304_100012357514 [0,2,0,0,0,0|2,0,0]=4 23235 B13R1.55 FCCCNc1cc(cc(c1)Br)Br 27a_100015189416_100009814770 [0,2,0,0,0,0|2,0,0]=4 23236 B13R1.55 FCCCNc1cc(cc(c1)Br)Br 34a_100012047176_100011934791 [0,2,0,0,0,0|2,0,0]=4 23237 B13R1.55 FCCCNc1cc(cc(c1)Br)Br 7a_100012047176_100011934791 [0,2,0,0,0,0|2,0,0]=4 23238 B13R1.55 FCCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100011934791 [0,2,0,0,0,0|2,0,0]=4 23239 B13R1.55 FCCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100011934791 [0,2,0,0,0,0|2,0,0]=4 23240 B13R1.55 FCCCNc1cc(cc(c1)Br)F 34a_100000705686_100011934791 [0,2,0,0,0,0|2,0,0]=4 23241 B13R1.55 FCCCNc1cc(cc(c1)Br)F 7a_100000705686_100011934791 [0,2,0,0,0,0|2,0,0]=4 23242 B13R1.55 FCCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100011934791 [0,2,0,0,0,0|2,0,0]=4 23243 B13R1.55 FCCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100011934791 [0,2,0,0,0,0|2,0,0]=4 23244 B13R1.55 FCCCNc1cc(cc(c1)Cl)F 34a_100000686136_100011934791 [0,2,0,0,0,0|2,0,0]=4 23245 B13R1.55 FCCCNc1cc(cc(c1)Cl)F 7a_100000686136_100011934791 [0,2,0,0,0,0|2,0,0]=4 23246 B13R1.55 FCCCNc1cc(cc(c1)F)F 34a_100000233717_100011934791 [0,2,0,0,0,0|2,0,0]=4 23247 B13R1.55 FCCCNc1cc(cc(c1)F)F 7a_100000233717_100011934791 [0,2,0,0,0,0|2,0,0]=4 23248 B13R1.55 FCCCNc1cc(cc(c1)I)Br 7a_100009814763_100011934791 [0,2,0,0,0,0|2,0,0]=4 23249 B13R1.55 FCCCNc1cc(cc(c1)I)Cl 7a_100010147676_100011934791 [0,2,0,0,0,0|2,0,0]=4 23250 B13R1.55 FCCCNc1cc(cc(c1)I)F 34a_100011356972_100011934791 [0,2,0,0,0,0|2,0,0]=4 23251 B13R1.55 FCCCNc1cc(cc(c1)I)F 7a_100011356972_100011934791 [0,2,0,0,0,0|2,0,0]=4 23252 B13R1.55 FCCCNc1cc(cc(c1)I)I 7a_200000696836_100011934791 [0,2,0,0,0,0|2,0,0]=4 23253 B13R1.55 FCCCOc1cc(cc(c1)Br)Br 34a_100010167048_100011934791 [0,2,0,0,0,0|2,0,0]=4 23254 B13R1.55 FCCCOc1cc(cc(c1)Br)Br 7a_100010167048_100011934791 [0,2,0,0,0,0|2,0,0]=4 23255 B13R1.55 FCCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011934791 [0,2,0,0,0,0|2,0,0]=4 23256 B13R1.55 FCCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011934791 [0,2,0,0,0,0|2,0,0]=4 23257 B13R1.55 FCCCOc1cc(cc(c1)Br)F 34a_100000688818_100011934791 [0,2,0,0,0,0|2,0,0]=4 23258 B13R1.55 FCCCOc1cc(cc(c1)Br)F 7a_100000688818_100011934791 [0,2,0,0,0,0|2,0,0]=4 23259 B13R1.55 FCCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011934791 [0,2,0,0,0,0|2,0,0]=4 23260 B13R1.55 FCCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011934791 [0,2,0,0,0,0|2,0,0]=4 23261 B13R1.55 FCCCOc1cc(cc(c1)Cl)F 34a_100011219751_100011934791 [0,2,0,0,0,0|2,0,0]=4 23262 B13R1.55 FCCCOc1cc(cc(c1)Cl)F 7a_100011219751_100011934791 [0,2,0,0,0,0|2,0,0]=4 23263 B13R1.55 FCCCOc1cc(cc(c1)F)F 34a_100000747503_100011934791 [0,2,0,0,0,0|2,0,0]=4 23264 B13R1.55 FCCCOc1cc(cc(c1)F)F 7a_100000747503_100011934791 [0,2,0,0,0,0|2,0,0]=4 23265 B13R1.55 FCCCOc1cc(cc(c1)I)Br 34a_100010068917_100011934791 [0,2,0,0,0,0|2,0,0]=4 23266 B13R1.55 FCCCOc1cc(cc(c1)I)Br 7a_100010068917_100011934791 [0,2,0,0,0,0|2,0,0]=4 23267 B13R1.55 FCCCOc1cc(cc(c1)I)Cl 34a_100010068924_100011934791 [0,2,0,0,0,0|2,0,0]=4 23268 B13R1.55 FCCCOc1cc(cc(c1)I)Cl 7a_100010068924_100011934791 [0,2,0,0,0,0|2,0,0]=4 23269 B13R1.55 FCCCOc1cc(cc(c1)I)F 34a_100000717995_100011934791 [0,2,0,0,0,0|2,0,0]=4 23270 B13R1.55 FCCCOc1cc(cc(c1)I)F 7a_100000717995_100011934791 [0,2,0,0,0,0|2,0,0]=4 23271 B13R1.55 FCCCSc1cc(cc(c1)Br)Br 62a_100009814770_100011934791 [0,2,0,0,0,0|2,0,0]=4 23272 B13R1.55 FCCCSc1cc(cc(c1)Br)Br 62a_100011934791_100009814770 [0,2,0,0,0,0|2,0,0]=4 23273 B13R1.55 FCCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100011934791 [0,2,0,0,0,0|2,0,0]=4 23274 B13R1.55 FCCCSc1cc(cc(c1)Br)Cl 62a_100011934791_100009814755 [0,2,0,0,0,0|2,0,0]=4 23275 B13R1.55 FCCCSc1cc(cc(c1)Br)F 62a_100009814764_100011934791 [0,2,0,0,0,0|2,0,0]=4 23276 B13R1.55 FCCCSc1cc(cc(c1)Br)F 62a_100011934791_100009814764 [0,2,0,0,0,0|2,0,0]=4 23277 B13R1.55 FCCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100011934791 [0,2,0,0,0,0|2,0,0]=4 23278 B13R1.55 FCCCSc1cc(cc(c1)Cl)Cl 62a_100011934791_100000747138 [0,2,0,0,0,0|2,0,0]=4 23279 B13R1.55 FCCCSc1cc(cc(c1)Cl)F 62a_100011934791_100013859453 [0,2,0,0,0,0|2,0,0]=4 23280 B13R1.55 FCCCSc1cc(cc(c1)Cl)F 62a_100013859453_100011934791 [0,2,0,0,0,0|2,0,0]=4 23281 B13R1.55 FCCCSc1cc(cc(c1)F)F 62a_100000233788_100011934791 [0,2,0,0,0,0|2,0,0]=4 23282 B13R1.55 FCCCSc1cc(cc(c1)F)F 62a_100011934791_100000233788 [0,2,0,0,0,0|2,0,0]=4 23283 B13R1.55 FCCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100011217306 [0,2,0,0,0,0|2,0,0]=4 23284 B13R1.55 FCCNCc1cc(cc(c1)Br)Br 269862a_100000724931_100000719502 [0,2,0,0,0,0|2,0,0]=4 23285 B13R1.55 FCCNCc1cc(cc(c1)Br)Br 34a_100000724931_100011216082 [0,2,0,0,0,0|2,0,0]=4 23286 B13R1.55 FCCNCc1cc(cc(c1)Br)Br 34a_100015211796_100011217306 [0,2,0,0,0,0|2,0,0]=4 23287 B13R1.55 FCCNCc1cc(cc(c1)Br)Cl 269862a_100000724931_100011934515 [0,2,0,0,0,0|2,0,0]=4 23288 B13R1.55 FCCNCc1cc(cc(c1)Br)F 2230a_100020611034_100011217306 [0,2,0,0,0,0|2,0,0]=4 23289 B13R1.55 FCCNCc1cc(cc(c1)Br)F 269862a_100000724931_100011794424 [0,2,0,0,0,0|2,0,0]=4 23290 B13R1.55 FCCNCc1cc(cc(c1)Br)F 34a_100000724931_100000766940 [0,2,0,0,0,0|2,0,0]=4 23291 B13R1.55 FCCNCc1cc(cc(c1)Br)F 34a_100020611034_100011217306 [0,2,0,0,0,0|2,0,0]=4 23292 B13R1.55 FCCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100011217306 [0,2,0,0,0,0|2,0,0]=4 23293 B13R1.55 FCCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100011217306 [0,2,0,0,0,0|2,0,0]=4 23294 B13R1.55 FCCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100011217306 [0,2,0,0,0,0|2,0,0]=4 23295 B13R1.55 FCCNCc1cc(cc(c1)Cl)F 269862a_100000724931_100000703917 [0,2,0,0,0,0|2,0,0]=4 23296 B13R1.55 FCCNCc1cc(cc(c1)Cl)F 34a_100000724931_100011219885 [0,2,0,0,0,0|2,0,0]=4 23297 B13R1.55 FCCNCc1cc(cc(c1)Cl)F 34a_100137329012_100011217306 [0,2,0,0,0,0|2,0,0]=4 23298 B13R1.55 FCCNCc1cc(cc(c1)F)F 2230a_100000737602_100011217306 [0,2,0,0,0,0|2,0,0]=4 23299 B13R1.55 FCCNCc1cc(cc(c1)F)F 269862a_100000724931_100000743029 [0,2,0,0,0,0|2,0,0]=4 23300 B13R1.55 FCCNCc1cc(cc(c1)F)F 34a_100000724931_100000697002 [0,2,0,0,0,0|2,0,0]=4 23301 B13R1.55 FCCNCc1cc(cc(c1)F)F 34a_100000737602_100011217306 [0,2,0,0,0,0|2,0,0]=4 23302 B13R1.55 FCCNCc1cc(cc(c1)I)Br 269862a_100000724931_100010185649 [0,2,0,0,0,0|2,0,0]=4 23303 B13R1.55 FCCNCc1cc(cc(c1)I)Br 34a_100000724931_100010146614 [0,2,0,0,0,0|2,0,0]=4 23304 B13R1.55 FCCNCc1cc(cc(c1)I)F 269862a_100000724931_100010185655 [0,2,0,0,0,0|2,0,0]=4 23305 B13R1.55 FCCNCc1cc(cc(c1)I)F 34a_100000724931_100010149605 [0,2,0,0,0,0|2,0,0]=4 23306 B13R1.55 FCCNCc1cc(cc(c1)I)I 269862a_100000724931_100010185653 [0,2,0,0,0,0|2,0,0]=4 23307 B13R1.55 FCCOCc1cc(cc(c1)Br)Br 34a_100011218366_100011217306 [0,2,0,0,0,0|2,0,0]=4 23308 B13R1.55 FCCOCc1cc(cc(c1)Br)Br 7a_100011218366_100011217306 [0,2,0,0,0,0|2,0,0]=4 23309 B13R1.55 FCCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100011217306 [0,2,0,0,0,0|2,0,0]=4 23310 B13R1.55 FCCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100011217306 [0,2,0,0,0,0|2,0,0]=4 23311 B13R1.55 FCCOCc1cc(cc(c1)Br)F 34a_100000766897_100011217306 [0,2,0,0,0,0|2,0,0]=4 23312 B13R1.55 FCCOCc1cc(cc(c1)Br)F 7a_100000766897_100011217306 [0,2,0,0,0,0|2,0,0]=4 23313 B13R1.55 FCCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100011217306 [0,2,0,0,0,0|2,0,0]=4 23314 B13R1.55 FCCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100011217306 [0,2,0,0,0,0|2,0,0]=4 23315 B13R1.55 FCCOCc1cc(cc(c1)Cl)F 34a_100011217560_100011217306 [0,2,0,0,0,0|2,0,0]=4 23316 B13R1.55 FCCOCc1cc(cc(c1)Cl)F 7a_100011217560_100011217306 [0,2,0,0,0,0|2,0,0]=4 23317 B13R1.55 FCCOCc1cc(cc(c1)F)F 34a_100011215443_100011217306 [0,2,0,0,0,0|2,0,0]=4 23318 B13R1.55 FCCOCc1cc(cc(c1)F)F 7a_100011215443_100011217306 [0,2,0,0,0,0|2,0,0]=4 23319 B13R1.55 FCCOCc1cc(cc(c1)I)Br 7a_100009814756_100011217306 [0,2,0,0,0,0|2,0,0]=4 23320 B13R1.55 FCCOCc1cc(cc(c1)I)F 34a_100010149598_100011217306 [0,2,0,0,0,0|2,0,0]=4 23321 B13R1.55 FCCOCc1cc(cc(c1)I)F 7a_100010149598_100011217306 [0,2,0,0,0,0|2,0,0]=4 23322 B13R1.55 FCCOCc1cc(cc(c1)I)I 7a_100010205817_100011217306 [0,2,0,0,0,0|2,0,0]=4 23323 B13R1.55 FCCSCc1cc(cc(c1)Br)Br 62a_100011216082_100011217306 [0,2,0,0,0,0|2,0,0]=4 23324 B13R1.55 FCCSCc1cc(cc(c1)Br)Br 62a_100011217306_100011216082 [0,2,0,0,0,0|2,0,0]=4 23325 B13R1.55 FCCSCc1cc(cc(c1)Br)F 62a_100000766940_100011217306 [0,2,0,0,0,0|2,0,0]=4 23326 B13R1.55 FCCSCc1cc(cc(c1)Br)F 62a_100011217306_100000766940 [0,2,0,0,0,0|2,0,0]=4 23327 B13R1.55 FCCSCc1cc(cc(c1)Cl)Cl 62a_100011217306_100011219208 [0,2,0,0,0,0|2,0,0]=4 23328 B13R1.55 FCCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100011217306 [0,2,0,0,0,0|2,0,0]=4 23329 B13R1.55 FCCSCc1cc(cc(c1)Cl)F 62a_100011217306_100011219885 [0,2,0,0,0,0|2,0,0]=4 23330 B13R1.55 FCCSCc1cc(cc(c1)Cl)F 62a_100011219885_100011217306 [0,2,0,0,0,0|2,0,0]=4 23331 B13R1.55 FCCSCc1cc(cc(c1)F)F 62a_100000697002_100011217306 [0,2,0,0,0,0|2,0,0]=4 23332 B13R1.55 FCCSCc1cc(cc(c1)F)F 62a_100011217306_100000697002 [0,2,0,0,0,0|2,0,0]=4 23333 B13R1.55 FCCSCc1cc(cc(c1)I)Br 62a_100010146614_100011217306 [0,2,0,0,0,0|2,0,0]=4 23334 B13R1.55 FCCSCc1cc(cc(c1)I)Br 62a_100011217306_100010146614 [0,2,0,0,0,0|2,0,0]=4 23335 B13R1.55 FCCSCc1cc(cc(c1)I)F 62a_100010149605_100011217306 [0,2,0,0,0,0|2,0,0]=4 23336 B13R1.55 FCCSCc1cc(cc(c1)I)F 62a_100011217306_100010149605 [0,2,0,0,0,0|2,0,0]=4 23337 B13R1.55 FCNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100015361967 [0,2,0,0,0,0|2,0,0]=4 23338 B13R1.55 FCNCCc1cc(cc(c1)F)F 34a_100000748410_100015361967 [0,2,0,0,0,0|2,0,0]=4 23339 B13R1.55 FCOCCc1cc(cc(c1)Br)Br 34a_100010243668_100015361967 [0,2,0,0,0,0|2,0,0]=4 23340 B13R1.55 FCOCCc1cc(cc(c1)Br)Br 7a_100010243668_100015361967 [0,2,0,0,0,0|2,0,0]=4 23341 B13R1.55 FCOCCc1cc(cc(c1)Br)F 34a_100012630564_100015361967 [0,2,0,0,0,0|2,0,0]=4 23342 B13R1.55 FCOCCc1cc(cc(c1)Br)F 7a_100012630564_100015361967 [0,2,0,0,0,0|2,0,0]=4 23343 B13R1.55 FCOCCc1cc(cc(c1)Cl)Cl 34a_100000720051_100015361967 [0,2,0,0,0,0|2,0,0]=4 23344 B13R1.55 FCOCCc1cc(cc(c1)Cl)Cl 7a_100000720051_100015361967 [0,2,0,0,0,0|2,0,0]=4 23345 B13R1.55 FCOCCc1cc(cc(c1)F)F 34a_100011754358_100015361967 [0,2,0,0,0,0|2,0,0]=4 23346 B13R1.55 FCOCCc1cc(cc(c1)F)F 7a_100011754358_100015361967 [0,2,0,0,0,0|2,0,0]=4 23347 B13R1.55 FCSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_100015361967 [0,2,0,0,0,0|2,0,0]=4 23348 B13R1.55 FCSCCc1cc(cc(c1)Cl)Cl 62a_100015361967_100000691793 [0,2,0,0,0,0|2,0,0]=4 23349 B13R1.55 FCSCCc1cc(cc(c1)F)F 62a_100011754442_100015361967 [0,2,0,0,0,0|2,0,0]=4 23350 B13R1.55 FCSCCc1cc(cc(c1)F)F 62a_100015361967_100011754442 [0,2,0,0,0,0|2,0,0]=4 23351 B13R1.55 Fc1cc(cc(c1)COCCBr)Br 34a_100000211926_100000766940 [0,2,0,0,0,0|2,0,0]=4 23352 B13R1.55 Fc1cc(cc(c1)COCCBr)Cl 34a_100000211926_100011219885 [0,2,0,0,0,0|2,0,0]=4 23353 B13R1.55 Fc1cc(cc(c1)COCCBr)F 34a_100000211926_100000697002 [0,2,0,0,0,0|2,0,0]=4 23354 B13R1.55 Fc1cc(cc(c1)COCCBr)I 34a_100000211926_100010149605 [0,2,0,0,0,0|2,0,0]=4 23355 B13R1.55 NCCOCc1cc(cc(c1)Br)Br 34a_100000210304_100011216082 [0,2,0,0,0,0|1,0,0]=3 23356 B13R1.55 NCCOCc1cc(cc(c1)Br)F 34a_100000210304_100000766940 [0,2,0,0,0,0|1,0,0]=3 23357 B13R1.55 NCCOCc1cc(cc(c1)Cl)F 34a_100000210304_100011219885 [0,2,0,0,0,0|1,0,0]=3 23358 B13R1.55 NCCOCc1cc(cc(c1)F)F 34a_100000210304_100000697002 [0,2,0,0,0,0|1,0,0]=3 23359 B13R1.55 NCCOCc1cc(cc(c1)I)Br 34a_100000210304_100010146614 [0,2,0,0,0,0|1,0,0]=3 23360 B13R1.55 NCCOCc1cc(cc(c1)I)F 34a_100000210304_100010149605 [0,2,0,0,0,0|1,0,0]=3 23361 B13R1.55 Nc1cc(cc(c1)COCCF)Cl 34a_100012002482_100011217306 [0,2,0,0,0,0|2,0,0]=4 23362 B13R1.55 Nc1cc(cc(c1)COCCF)Cl 7a_100012002482_100011217306 [0,2,0,0,0,0|2,0,0]=4 23363 B13R1.55 Nc1cc(cc(c1)COCCF)N 34a_100000032468_100011217306 [0,2,0,0,0,0|2,0,0]=4 23364 B13R1.55 Nc1cc(cc(c1)COCCO)Cl 34a_100012002482_100000211926 [0,2,0,0,0,0|2,0,0]=4 23365 B13R1.55 Nc1cc(cc(c1)COCCO)Cl 7a_100012002482_100000211926 [0,2,0,0,0,0|2,0,0]=4 23366 B13R1.55 Nc1cc(cc(c1)COCCO)N 34a_100000032468_100000211926 [0,2,0,0,0,0|2,0,0]=4 23367 B13R1.55 Nc1cc(cc(c1)OCCCF)Cl 34a_100000123917_100011934791 [0,2,0,0,0,0|2,0,0]=4 23368 B13R1.55 Nc1cc(cc(c1)OCCCF)Cl 7a_100000123917_100011934791 [0,2,0,0,0,0|2,0,0]=4 23369 B13R1.55 Nc1cc(cc(c1)OCCCO)Cl 34a_100000123917_100000230001 [0,2,0,0,0,0|2,0,0]=4 23370 B13R1.55 Nc1cc(cc(c1)OCCCO)Cl 7a_100000123917_100011215043 [0,2,0,0,0,0|2,0,0]=4 23371 B13R1.55 Nc1cc(cc(c1)SCCCF)Br 62a_100009814763_100011934791 [0,2,0,0,0,0|2,0,0]=4 23372 B13R1.55 Nc1cc(cc(c1)SCCCF)Br 62a_100011934791_100009814763 [0,2,0,0,0,0|2,0,0]=4 23373 B13R1.55 Nc1cc(cc(c1)SCCCF)Cl 62a_100010147676_100011934791 [0,2,0,0,0,0|2,0,0]=4 23374 B13R1.55 Nc1cc(cc(c1)SCCCF)Cl 62a_100011934791_100010147676 [0,2,0,0,0,0|2,0,0]=4 23375 B13R1.55 Nc1cc(cc(c1)SCCCF)F 62a_100011356972_100011934791 [0,2,0,0,0,0|2,0,0]=4 23376 B13R1.55 Nc1cc(cc(c1)SCCCF)F 62a_100011934791_100011356972 [0,2,0,0,0,0|2,0,0]=4 23377 B13R1.55 Nc1cc(cc(c1)SCCCF)N 62a_100011934791_100011999608 [0,2,0,0,0,0|2,0,0]=4 23378 B13R1.55 Nc1cc(cc(c1)SCCCF)N 62a_100011999608_100011934791 [0,2,0,0,0,0|2,0,0]=4 23379 B13R1.55 Nc1cc(cc(c1)SCCCO)Br 62a_100009814763_100011215043 [0,2,0,0,0,0|2,0,0]=4 23380 B13R1.55 Nc1cc(cc(c1)SCCCO)Br 62a_100011215043_100009814763 [0,2,0,0,0,0|2,0,0]=4 23381 B13R1.55 Nc1cc(cc(c1)SCCCO)Cl 62a_100010147676_100011215043 [0,2,0,0,0,0|2,0,0]=4 23382 B13R1.55 Nc1cc(cc(c1)SCCCO)Cl 62a_100011215043_100010147676 [0,2,0,0,0,0|2,0,0]=4 23383 B13R1.55 Nc1cc(cc(c1)SCCCO)F 62a_100011215043_100011356972 [0,2,0,0,0,0|2,0,0]=4 23384 B13R1.55 Nc1cc(cc(c1)SCCCO)F 62a_100011356972_100011215043 [0,2,0,0,0,0|2,0,0]=4 23385 B13R1.55 Nc1cc(cc(c1)SCCCO)N 62a_100011215043_100011999608 [0,2,0,0,0,0|2,0,0]=4 23386 B13R1.55 Nc1cc(cc(c1)SCCCO)N 62a_100011999608_100011215043 [0,2,0,0,0,0|2,0,0]=4 23387 B13R1.55 OCCCNc1cc(cc(c1)Br)Br 27a_100000182051_100009814770 [0,2,0,0,0,0|2,0,0]=4 23388 B13R1.55 OCCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000230001 [0,2,0,0,0,0|2,0,0]=4 23389 B13R1.55 OCCCNc1cc(cc(c1)Br)Br 7a_100012047176_100011215043 [0,2,0,0,0,0|2,0,0]=4 23390 B13R1.55 OCCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000230001 [0,2,0,0,0,0|2,0,0]=4 23391 B13R1.55 OCCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100011215043 [0,2,0,0,0,0|2,0,0]=4 23392 B13R1.55 OCCCNc1cc(cc(c1)Br)F 34a_100000705686_100000230001 [0,2,0,0,0,0|2,0,0]=4 23393 B13R1.55 OCCCNc1cc(cc(c1)Br)F 7a_100000705686_100011215043 [0,2,0,0,0,0|2,0,0]=4 23394 B13R1.55 OCCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000230001 [0,2,0,0,0,0|2,0,0]=4 23395 B13R1.55 OCCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100011215043 [0,2,0,0,0,0|2,0,0]=4 23396 B13R1.55 OCCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000230001 [0,2,0,0,0,0|2,0,0]=4 23397 B13R1.55 OCCCNc1cc(cc(c1)Cl)F 7a_100000686136_100011215043 [0,2,0,0,0,0|2,0,0]=4 23398 B13R1.55 OCCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000230001 [0,2,0,0,0,0|2,0,0]=4 23399 B13R1.55 OCCCNc1cc(cc(c1)Cl)O 7a_100000123917_100011215043 [0,2,0,0,0,0|2,0,0]=4 23400 B13R1.55 OCCCNc1cc(cc(c1)F)F 34a_100000233717_100000230001 [0,2,0,0,0,0|2,0,0]=4 23401 B13R1.55 OCCCNc1cc(cc(c1)F)F 7a_100000233717_100011215043 [0,2,0,0,0,0|2,0,0]=4 23402 B13R1.55 OCCCNc1cc(cc(c1)I)Br 7a_100009814763_100011215043 [0,2,0,0,0,0|2,0,0]=4 23403 B13R1.55 OCCCNc1cc(cc(c1)I)Cl 7a_100010147676_100011215043 [0,2,0,0,0,0|2,0,0]=4 23404 B13R1.55 OCCCNc1cc(cc(c1)I)F 34a_100011356972_100000230001 [0,2,0,0,0,0|2,0,0]=4 23405 B13R1.55 OCCCNc1cc(cc(c1)I)F 7a_100011356972_100011215043 [0,2,0,0,0,0|2,0,0]=4 23406 B13R1.55 OCCCNc1cc(cc(c1)I)I 7a_200000696836_100011215043 [0,2,0,0,0,0|2,0,0]=4 23407 B13R1.55 OCCCNc1cc(cc(c1)O)O 34a_100000043371_100000230001 [0,2,0,0,0,0|2,0,0]=4 23408 B13R1.55 OCCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000230001 [0,2,0,0,0,0|2,0,0]=4 23409 B13R1.55 OCCCOc1cc(cc(c1)Br)Br 7a_100010167048_100011215043 [0,2,0,0,0,0|2,0,0]=4 23410 B13R1.55 OCCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000230001 [0,2,0,0,0,0|2,0,0]=4 23411 B13R1.55 OCCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011215043 [0,2,0,0,0,0|2,0,0]=4 23412 B13R1.55 OCCCOc1cc(cc(c1)Br)F 34a_100000688818_100000230001 [0,2,0,0,0,0|2,0,0]=4 23413 B13R1.55 OCCCOc1cc(cc(c1)Br)F 7a_100000688818_100011215043 [0,2,0,0,0,0|2,0,0]=4 23414 B13R1.55 OCCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000230001 [0,2,0,0,0,0|2,0,0]=4 23415 B13R1.55 OCCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011215043 [0,2,0,0,0,0|2,0,0]=4 23416 B13R1.55 OCCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000230001 [0,2,0,0,0,0|2,0,0]=4 23417 B13R1.55 OCCCOc1cc(cc(c1)Cl)F 7a_100011219751_100011215043 [0,2,0,0,0,0|2,0,0]=4 23418 B13R1.55 OCCCOc1cc(cc(c1)F)F 34a_100000747503_100000230001 [0,2,0,0,0,0|2,0,0]=4 23419 B13R1.55 OCCCOc1cc(cc(c1)F)F 7a_100000747503_100011215043 [0,2,0,0,0,0|2,0,0]=4 23420 B13R1.55 OCCCOc1cc(cc(c1)I)Br 34a_100010068917_100000230001 [0,2,0,0,0,0|2,0,0]=4 23421 B13R1.55 OCCCOc1cc(cc(c1)I)Br 7a_100010068917_100011215043 [0,2,0,0,0,0|2,0,0]=4 23422 B13R1.55 OCCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000230001 [0,2,0,0,0,0|2,0,0]=4 23423 B13R1.55 OCCCOc1cc(cc(c1)I)Cl 7a_100010068924_100011215043 [0,2,0,0,0,0|2,0,0]=4 23424 B13R1.55 OCCCOc1cc(cc(c1)I)F 34a_100000717995_100000230001 [0,2,0,0,0,0|2,0,0]=4 23425 B13R1.55 OCCCOc1cc(cc(c1)I)F 7a_100000717995_100011215043 [0,2,0,0,0,0|2,0,0]=4 23426 B13R1.55 OCCCSc1cc(cc(c1)Br)Br 62a_100009814770_100011215043 [0,2,0,0,0,0|2,0,0]=4 23427 B13R1.55 OCCCSc1cc(cc(c1)Br)Br 62a_100011215043_100009814770 [0,2,0,0,0,0|2,0,0]=4 23428 B13R1.55 OCCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100011215043 [0,2,0,0,0,0|2,0,0]=4 23429 B13R1.55 OCCCSc1cc(cc(c1)Br)Cl 62a_100011215043_100009814755 [0,2,0,0,0,0|2,0,0]=4 23430 B13R1.55 OCCCSc1cc(cc(c1)Br)F 62a_100009814764_100011215043 [0,2,0,0,0,0|2,0,0]=4 23431 B13R1.55 OCCCSc1cc(cc(c1)Br)F 62a_100011215043_100009814764 [0,2,0,0,0,0|2,0,0]=4 23432 B13R1.55 OCCCSc1cc(cc(c1)Br)O 62a_100010068917_100011215043 [0,2,0,0,0,0|2,0,0]=4 23433 B13R1.55 OCCCSc1cc(cc(c1)Br)O 62a_100011215043_100010068917 [0,2,0,0,0,0|2,0,0]=4 23434 B13R1.55 OCCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100011215043 [0,2,0,0,0,0|2,0,0]=4 23435 B13R1.55 OCCCSc1cc(cc(c1)Cl)Cl 62a_100011215043_100000747138 [0,2,0,0,0,0|2,0,0]=4 23436 B13R1.55 OCCCSc1cc(cc(c1)Cl)F 62a_100011215043_100013859453 [0,2,0,0,0,0|2,0,0]=4 23437 B13R1.55 OCCCSc1cc(cc(c1)Cl)F 62a_100013859453_100011215043 [0,2,0,0,0,0|2,0,0]=4 23438 B13R1.55 OCCCSc1cc(cc(c1)Cl)O 62a_100010068924_100011215043 [0,2,0,0,0,0|2,0,0]=4 23439 B13R1.55 OCCCSc1cc(cc(c1)Cl)O 62a_100011215043_100010068924 [0,2,0,0,0,0|2,0,0]=4 23440 B13R1.55 OCCCSc1cc(cc(c1)F)F 62a_100000233788_100011215043 [0,2,0,0,0,0|2,0,0]=4 23441 B13R1.55 OCCCSc1cc(cc(c1)F)F 62a_100011215043_100000233788 [0,2,0,0,0,0|2,0,0]=4 23442 B13R1.55 OCCCSc1cc(cc(c1)F)O 62a_100000688818_100011215043 [0,2,0,0,0,0|2,0,0]=4 23443 B13R1.55 OCCCSc1cc(cc(c1)F)O 62a_100011215043_100000688818 [0,2,0,0,0,0|2,0,0]=4 23444 B13R1.55 OCCCSc1cc(cc(c1)O)O 62a_100011215043_100009868816 [0,2,0,0,0,0|2,0,0]=4 23445 B13R1.55 OCCNCc1cc(cc(c1)Br)Br 207a_100000210304_100000719502 [0,2,0,0,0,0|2,0,0]=4 23446 B13R1.55 OCCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000211926 [0,2,0,0,0,0|2,0,0]=4 23447 B13R1.55 OCCNCc1cc(cc(c1)Br)Br 2230a_100016997473_100011216082 [0,2,0,0,0,0|2,0,0]=4 23448 B13R1.55 OCCNCc1cc(cc(c1)Br)Br 269862a_100000210304_100000719502 [0,2,0,0,0,0|2,0,0]=4 23449 B13R1.55 OCCNCc1cc(cc(c1)Br)Br 270004a_100000210304_100000719502 [0,2,0,0,0,0|2,0,0]=4 23450 B13R1.55 OCCNCc1cc(cc(c1)Br)Br 34a_100015211796_100000211926 [0,2,0,0,0,0|2,0,0]=4 23451 B13R1.55 OCCNCc1cc(cc(c1)Br)Br 34a_100016990907_100011216082 [0,2,0,0,0,0|2,0,0]=4 23452 B13R1.55 OCCNCc1cc(cc(c1)Br)Cl 207a_100000210304_100011934515 [0,2,0,0,0,0|2,0,0]=4 23453 B13R1.55 OCCNCc1cc(cc(c1)Br)Cl 269862a_100000210304_100011934515 [0,2,0,0,0,0|2,0,0]=4 23454 B13R1.55 OCCNCc1cc(cc(c1)Br)Cl 270004a_100000210304_100011934515 [0,2,0,0,0,0|2,0,0]=4 23455 B13R1.55 OCCNCc1cc(cc(c1)Br)F 207a_100000210304_100011794424 [0,2,0,0,0,0|2,0,0]=4 23456 B13R1.55 OCCNCc1cc(cc(c1)Br)F 2230a_100016997473_100000766940 [0,2,0,0,0,0|2,0,0]=4 23457 B13R1.55 OCCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000211926 [0,2,0,0,0,0|2,0,0]=4 23458 B13R1.55 OCCNCc1cc(cc(c1)Br)F 269862a_100000210304_100011794424 [0,2,0,0,0,0|2,0,0]=4 23459 B13R1.55 OCCNCc1cc(cc(c1)Br)F 270004a_100000210304_100011794424 [0,2,0,0,0,0|2,0,0]=4 23460 B13R1.55 OCCNCc1cc(cc(c1)Br)F 34a_100016990907_100000766940 [0,2,0,0,0,0|2,0,0]=4 23461 B13R1.55 OCCNCc1cc(cc(c1)Br)F 34a_100020611034_100000211926 [0,2,0,0,0,0|2,0,0]=4 23462 B13R1.55 OCCNCc1cc(cc(c1)Br)O 207a_100000210304_100010176088 [0,2,0,0,0,0|2,0,0]=4 23463 B13R1.55 OCCNCc1cc(cc(c1)Br)O 270004a_100000210304_100010176088 [0,2,0,0,0,0|2,0,0]=4 23464 B13R1.55 OCCNCc1cc(cc(c1)Cl)Cl 207a_100000210304_100000741761 [0,2,0,0,0,0|2,0,0]=4 23465 B13R1.55 OCCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000211926 [0,2,0,0,0,0|2,0,0]=4 23466 B13R1.55 OCCNCc1cc(cc(c1)Cl)Cl 2230a_100016997473_100000685807 [0,2,0,0,0,0|2,0,0]=4 23467 B13R1.55 OCCNCc1cc(cc(c1)Cl)Cl 270004a_100000210304_100000741761 [0,2,0,0,0,0|2,0,0]=4 23468 B13R1.55 OCCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000211926 [0,2,0,0,0,0|2,0,0]=4 23469 B13R1.55 OCCNCc1cc(cc(c1)Cl)F 207a_100000210304_100000703917 [0,2,0,0,0,0|2,0,0]=4 23470 B13R1.55 OCCNCc1cc(cc(c1)Cl)F 2230a_100016997473_100011219885 [0,2,0,0,0,0|2,0,0]=4 23471 B13R1.55 OCCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000211926 [0,2,0,0,0,0|2,0,0]=4 23472 B13R1.55 OCCNCc1cc(cc(c1)Cl)F 269862a_100000210304_100000703917 [0,2,0,0,0,0|2,0,0]=4 23473 B13R1.55 OCCNCc1cc(cc(c1)Cl)F 270004a_100000210304_100000703917 [0,2,0,0,0,0|2,0,0]=4 23474 B13R1.55 OCCNCc1cc(cc(c1)Cl)F 34a_100016990907_100011219885 [0,2,0,0,0,0|2,0,0]=4 23475 B13R1.55 OCCNCc1cc(cc(c1)Cl)F 34a_100137329012_100000211926 [0,2,0,0,0,0|2,0,0]=4 23476 B13R1.55 OCCNCc1cc(cc(c1)Cl)O 207a_100000210304_100000050827 [0,2,0,0,0,0|2,0,0]=4 23477 B13R1.55 OCCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000211926 [0,2,0,0,0,0|2,0,0]=4 23478 B13R1.55 OCCNCc1cc(cc(c1)Cl)O 270004a_100000210304_100000050827 [0,2,0,0,0,0|2,0,0]=4 23479 B13R1.55 OCCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000211926 [0,2,0,0,0,0|2,0,0]=4 23480 B13R1.55 OCCNCc1cc(cc(c1)F)F 207a_100000210304_100000743029 [0,2,0,0,0,0|2,0,0]=4 23481 B13R1.55 OCCNCc1cc(cc(c1)F)F 2230a_100000737602_100000211926 [0,2,0,0,0,0|2,0,0]=4 23482 B13R1.55 OCCNCc1cc(cc(c1)F)F 2230a_100016997473_100000697002 [0,2,0,0,0,0|2,0,0]=4 23483 B13R1.55 OCCNCc1cc(cc(c1)F)F 269862a_100000210304_100000743029 [0,2,0,0,0,0|2,0,0]=4 23484 B13R1.55 OCCNCc1cc(cc(c1)F)F 270004a_100000210304_100000743029 [0,2,0,0,0,0|2,0,0]=4 23485 B13R1.55 OCCNCc1cc(cc(c1)F)F 34a_100000737602_100000211926 [0,2,0,0,0,0|2,0,0]=4 23486 B13R1.55 OCCNCc1cc(cc(c1)F)F 34a_100016990907_100000697002 [0,2,0,0,0,0|2,0,0]=4 23487 B13R1.55 OCCNCc1cc(cc(c1)F)O 207a_100000210304_100000703664 [0,2,0,0,0,0|2,0,0]=4 23488 B13R1.55 OCCNCc1cc(cc(c1)F)O 2230a_100160469513_100000211926 [0,2,0,0,0,0|2,0,0]=4 23489 B13R1.55 OCCNCc1cc(cc(c1)F)O 270004a_100000210304_100000703664 [0,2,0,0,0,0|2,0,0]=4 23490 B13R1.55 OCCNCc1cc(cc(c1)F)O 34a_100160469513_100000211926 [0,2,0,0,0,0|2,0,0]=4 23491 B13R1.55 OCCNCc1cc(cc(c1)I)Br 207a_100000210304_100010185649 [0,2,0,0,0,0|2,0,0]=4 23492 B13R1.55 OCCNCc1cc(cc(c1)I)Br 2230a_100016997473_100010146614 [0,2,0,0,0,0|2,0,0]=4 23493 B13R1.55 OCCNCc1cc(cc(c1)I)Br 269862a_100000210304_100010185649 [0,2,0,0,0,0|2,0,0]=4 23494 B13R1.55 OCCNCc1cc(cc(c1)I)Br 270004a_100000210304_100010185649 [0,2,0,0,0,0|2,0,0]=4 23495 B13R1.55 OCCNCc1cc(cc(c1)I)Br 34a_100016990907_100010146614 [0,2,0,0,0,0|2,0,0]=4 23496 B13R1.55 OCCNCc1cc(cc(c1)I)F 207a_100000210304_100010185655 [0,2,0,0,0,0|2,0,0]=4 23497 B13R1.55 OCCNCc1cc(cc(c1)I)F 2230a_100016997473_100010149605 [0,2,0,0,0,0|2,0,0]=4 23498 B13R1.55 OCCNCc1cc(cc(c1)I)F 269862a_100000210304_100010185655 [0,2,0,0,0,0|2,0,0]=4 23499 B13R1.55 OCCNCc1cc(cc(c1)I)F 270004a_100000210304_100010185655 [0,2,0,0,0,0|2,0,0]=4 23500 B13R1.55 OCCNCc1cc(cc(c1)I)F 34a_100016990907_100010149605 [0,2,0,0,0,0|2,0,0]=4 23501 B13R1.55 OCCNCc1cc(cc(c1)I)I 207a_100000210304_100010185653 [0,2,0,0,0,0|2,0,0]=4 23502 B13R1.55 OCCNCc1cc(cc(c1)I)I 269862a_100000210304_100010185653 [0,2,0,0,0,0|2,0,0]=4 23503 B13R1.55 OCCNCc1cc(cc(c1)O)O 207a_100000210304_100000043415 [0,2,0,0,0,0|2,0,0]=4 23504 B13R1.55 OCCNCc1cc(cc(c1)O)O 2230a_100159270720_100000211926 [0,2,0,0,0,0|2,0,0]=4 23505 B13R1.55 OCCNCc1cc(cc(c1)O)O 34a_100159270720_100000211926 [0,2,0,0,0,0|2,0,0]=4 23506 B13R1.55 OCCOCc1cc(cc(c1)Br)Br 34a_100011218366_100000211926 [0,2,0,0,0,0|2,0,0]=4 23507 B13R1.55 OCCOCc1cc(cc(c1)Br)Br 7a_100011218366_100000211926 [0,2,0,0,0,0|2,0,0]=4 23508 B13R1.55 OCCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100000211926 [0,2,0,0,0,0|2,0,0]=4 23509 B13R1.55 OCCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100000211926 [0,2,0,0,0,0|2,0,0]=4 23510 B13R1.55 OCCOCc1cc(cc(c1)Br)F 34a_100000766897_100000211926 [0,2,0,0,0,0|2,0,0]=4 23511 B13R1.55 OCCOCc1cc(cc(c1)Br)F 7a_100000766897_100000211926 [0,2,0,0,0,0|2,0,0]=4 23512 B13R1.55 OCCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000211926 [0,2,0,0,0,0|2,0,0]=4 23513 B13R1.55 OCCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100000211926 [0,2,0,0,0,0|2,0,0]=4 23514 B13R1.55 OCCOCc1cc(cc(c1)Cl)F 34a_100011217560_100000211926 [0,2,0,0,0,0|2,0,0]=4 23515 B13R1.55 OCCOCc1cc(cc(c1)Cl)F 7a_100011217560_100000211926 [0,2,0,0,0,0|2,0,0]=4 23516 B13R1.55 OCCOCc1cc(cc(c1)F)F 34a_100011215443_100000211926 [0,2,0,0,0,0|2,0,0]=4 23517 B13R1.55 OCCOCc1cc(cc(c1)F)F 7a_100011215443_100000211926 [0,2,0,0,0,0|2,0,0]=4 23518 B13R1.55 OCCOCc1cc(cc(c1)I)Br 7a_100009814756_100000211926 [0,2,0,0,0,0|2,0,0]=4 23519 B13R1.55 OCCOCc1cc(cc(c1)I)F 34a_100010149598_100000211926 [0,2,0,0,0,0|2,0,0]=4 23520 B13R1.55 OCCOCc1cc(cc(c1)I)F 7a_100010149598_100000211926 [0,2,0,0,0,0|2,0,0]=4 23521 B13R1.55 OCCOCc1cc(cc(c1)I)I 7a_100010205817_100000211926 [0,2,0,0,0,0|2,0,0]=4 23522 B13R1.55 OCCSCc1cc(cc(c1)Br)Br 62a_100000211926_100011216082 [0,2,0,0,0,0|2,0,0]=4 23523 B13R1.55 OCCSCc1cc(cc(c1)Br)Br 62a_100011216082_100000211926 [0,2,0,0,0,0|2,0,0]=4 23524 B13R1.55 OCCSCc1cc(cc(c1)Br)F 62a_100000211926_100000766940 [0,2,0,0,0,0|2,0,0]=4 23525 B13R1.55 OCCSCc1cc(cc(c1)Br)F 62a_100000766940_100000211926 [0,2,0,0,0,0|2,0,0]=4 23526 B13R1.55 OCCSCc1cc(cc(c1)Cl)Cl 62a_100000211926_100011219208 [0,2,0,0,0,0|2,0,0]=4 23527 B13R1.55 OCCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000211926 [0,2,0,0,0,0|2,0,0]=4 23528 B13R1.55 OCCSCc1cc(cc(c1)Cl)F 62a_100000211926_100011219885 [0,2,0,0,0,0|2,0,0]=4 23529 B13R1.55 OCCSCc1cc(cc(c1)Cl)F 62a_100011219885_100000211926 [0,2,0,0,0,0|2,0,0]=4 23530 B13R1.55 OCCSCc1cc(cc(c1)F)F 62a_100000211926_100000697002 [0,2,0,0,0,0|2,0,0]=4 23531 B13R1.55 OCCSCc1cc(cc(c1)F)F 62a_100000697002_100000211926 [0,2,0,0,0,0|2,0,0]=4 23532 B13R1.55 OCCSCc1cc(cc(c1)I)Br 62a_100000211926_100010146614 [0,2,0,0,0,0|2,0,0]=4 23533 B13R1.55 OCCSCc1cc(cc(c1)I)Br 62a_100010146614_100000211926 [0,2,0,0,0,0|2,0,0]=4 23534 B13R1.55 OCCSCc1cc(cc(c1)I)F 62a_100000211926_100010149605 [0,2,0,0,0,0|2,0,0]=4 23535 B13R1.55 OCCSCc1cc(cc(c1)I)F 62a_100010149605_100000211926 [0,2,0,0,0,0|2,0,0]=4 23536 B13R1.55 Oc1cc(cc(c1)CNCCF)Cl 2230a_107254831445_100011217306 [0,2,0,0,0,0|2,0,0]=4 23537 B13R1.55 Oc1cc(cc(c1)CNCCF)Cl 34a_107254831445_100011217306 [0,2,0,0,0,0|2,0,0]=4 23538 B13R1.55 Oc1cc(cc(c1)CNCCF)F 2230a_100160469513_100011217306 [0,2,0,0,0,0|2,0,0]=4 23539 B13R1.55 Oc1cc(cc(c1)CNCCF)F 34a_100160469513_100011217306 [0,2,0,0,0,0|2,0,0]=4 23540 B13R1.55 Oc1cc(cc(c1)CNCCF)O 2230a_100159270720_100011217306 [0,2,0,0,0,0|2,0,0]=4 23541 B13R1.55 Oc1cc(cc(c1)CNCCF)O 34a_100159270720_100011217306 [0,2,0,0,0,0|2,0,0]=4 23542 B13R1.55 Oc1cc(cc(c1)NCCCF)Cl 34a_100000123917_100011934791 [0,2,0,0,0,0|2,0,0]=4 23543 B13R1.55 Oc1cc(cc(c1)NCCCF)Cl 7a_100000123917_100011934791 [0,2,0,0,0,0|2,0,0]=4 23544 B13R1.55 Oc1cc(cc(c1)NCCCF)O 34a_100000043371_100011934791 [0,2,0,0,0,0|2,0,0]=4 23545 B13R1.55 Oc1cc(cc(c1)SCCCF)Br 62a_100010068917_100011934791 [0,2,0,0,0,0|2,0,0]=4 23546 B13R1.55 Oc1cc(cc(c1)SCCCF)Br 62a_100011934791_100010068917 [0,2,0,0,0,0|2,0,0]=4 23547 B13R1.55 Oc1cc(cc(c1)SCCCF)Cl 62a_100010068924_100011934791 [0,2,0,0,0,0|2,0,0]=4 23548 B13R1.55 Oc1cc(cc(c1)SCCCF)Cl 62a_100011934791_100010068924 [0,2,0,0,0,0|2,0,0]=4 23549 B13R1.55 Oc1cc(cc(c1)SCCCF)F 62a_100000688818_100011934791 [0,2,0,0,0,0|2,0,0]=4 23550 B13R1.55 Oc1cc(cc(c1)SCCCF)F 62a_100011934791_100000688818 [0,2,0,0,0,0|2,0,0]=4 23551 B13R1.55 Oc1cc(cc(c1)SCCCF)O 62a_100011934791_100009868816 [0,2,0,0,0,0|2,0,0]=4 23552 B13R1.55 [13CH3]OCCCc1cc(cc(c1)F)F 34a_100011999496_200025704644 [0,2,0,0,0,0|2,0,0]=4 23553 B13R1.55 [13CH3]OCCCc1cc(cc(c1)F)F 7a_100011999496_200025704644 [0,2,0,0,0,0|2,0,0]=4 23554 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,2,0,0,0,0|1,0,1]=4 23555 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,2,0,0,0,0|1,0,1]=4 23556 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,2,0,0,0,0|1,0,1]=4 23557 B13R1.149 CC(Br)COCc1cccc(c1)Br 34a_100012180447_100000698116 [0,2,0,0,0,0|2,0,0]=4 23558 B13R1.149 CC(Br)COCc1cccc(c1)Cl 34a_100012180447_100000187163 [0,2,0,0,0,0|2,0,0]=4 23559 B13R1.149 CC(Br)COCc1cccc(c1)F 34a_100012180447_100000187166 [0,2,0,0,0,0|2,0,0]=4 23560 B13R1.149 CC(Br)COCc1cccc(c1)I 34a_100012180447_100011218688 [0,2,0,0,0,0|2,0,0]=4 23561 B13R1.149 CC(Br)COCc1cccc(c1)O 34a_100012180447_100011660834 [0,2,0,0,0,0|2,0,0]=4 23562 B13R1.149 CC(C)CCNc1cccc(c1)Br 34a_100000210019_100000210312 [0,2,0,0,0,0|2,0,0]=4 23563 B13R1.149 CC(C)CCNc1cccc(c1)Cl 34a_100000185859_100000210312 [0,2,0,0,0,0|2,0,0]=4 23564 B13R1.149 CC(C)CCNc1cccc(c1)F 34a_100000210047_100000210312 [0,2,0,0,0,0|2,0,0]=4 23565 B13R1.149 CC(C)CCNc1cccc(c1)I 34a_100000211102_100000210312 [0,2,0,0,0,0|2,0,0]=4 23566 B13R1.149 CC(C)CCNc1cccc(c1)O 34a_100000210217_100000210312 [0,2,0,0,0,0|2,0,0]=4 23567 B13R1.149 CC(C)CCOc1cccc(c1)Br 34a_100000210342_100000210312 [0,2,0,0,0,0|2,0,0]=4 23568 B13R1.149 CC(C)CCOc1cccc(c1)Br 7a_100000210342_100000210626 [0,2,0,0,0,0|2,0,0]=4 23569 B13R1.149 CC(C)CCOc1cccc(c1)Cl 34a_100000210295_100000210312 [0,2,0,0,0,0|2,0,0]=4 23570 B13R1.149 CC(C)CCOc1cccc(c1)Cl 7a_100000210295_100000210626 [0,2,0,0,0,0|2,0,0]=4 23571 B13R1.149 CC(C)CCOc1cccc(c1)F 34a_100000210426_100000210312 [0,2,0,0,0,0|2,0,0]=4 23572 B13R1.149 CC(C)CCOc1cccc(c1)F 7a_100000210426_100000210626 [0,2,0,0,0,0|2,0,0]=4 23573 B13R1.149 CC(C)CCOc1cccc(c1)I 34a_100000211634_100000210312 [0,2,0,0,0,0|2,0,0]=4 23574 B13R1.149 CC(C)CCOc1cccc(c1)I 7a_100000211634_100000210626 [0,2,0,0,0,0|2,0,0]=4 23575 B13R1.149 CC(C)CCOc1cccc(c1)N 34a_100000210217_100000210312 [0,2,0,0,0,0|2,0,0]=4 23576 B13R1.149 CC(C)CCSc1cccc(c1)Br 62a_100000210312_100000691529 [0,2,0,0,0,0|2,0,0]=4 23577 B13R1.149 CC(C)CCSc1cccc(c1)Br 62a_100000691529_100000210312 [0,2,0,0,0,0|2,0,0]=4 23578 B13R1.149 CC(C)CCSc1cccc(c1)Cl 62a_100000210312_100000699651 [0,2,0,0,0,0|2,0,0]=4 23579 B13R1.149 CC(C)CCSc1cccc(c1)Cl 62a_100000699651_100000210312 [0,2,0,0,0,0|2,0,0]=4 23580 B13R1.149 CC(C)CCSc1cccc(c1)F 62a_100000210312_100000685547 [0,2,0,0,0,0|2,0,0]=4 23581 B13R1.149 CC(C)CCSc1cccc(c1)F 62a_100000685547_100000210312 [0,2,0,0,0,0|2,0,0]=4 23582 B13R1.149 CC(C)CCSc1cccc(c1)N 62a_100000210019_100000210312 [0,2,0,0,0,0|2,0,0]=4 23583 B13R1.149 CC(C)CCSc1cccc(c1)N 62a_100000210312_100000210019 [0,2,0,0,0,0|2,0,0]=4 23584 B13R1.149 CC(C)CCSc1cccc(c1)O 62a_100000210312_100000211634 [0,2,0,0,0,0|2,0,0]=4 23585 B13R1.149 CC(C)CCSc1cccc(c1)[S] 62a_100000210312_114929384022 [0,2,0,0,0,0|2,0,0]=4 23586 B13R1.149 CC(C)CCSc1cccc(c1)[S] 62a_114929384022_100000210312 [0,2,0,0,0,0|2,0,0]=4 23587 B13R1.149 CC(C)CNCc1cccc(c1)Br 207a_100000210953_100000210085 [0,2,0,0,0,0|2,0,0]=4 23588 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000174977_100000210760 [0,2,0,0,0,0|2,0,0]=4 23589 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000210953_100000698116 [0,2,0,0,0,0|2,0,0]=4 23590 B13R1.149 CC(C)CNCc1cccc(c1)Br 26a_100000210953_100000210342 [0,2,0,0,0,0|2,0,0]=4 23591 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000174977_100000210432 [0,2,0,0,0,0|2,0,0]=4 23592 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000210953_100000210085 [0,2,0,0,0,0|2,0,0]=4 23593 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000174977_100000210624 [0,2,0,0,0,0|2,0,0]=4 23594 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000210953_100000698116 [0,2,0,0,0,0|2,0,0]=4 23595 B13R1.149 CC(C)CNCc1cccc(c1)Cl 207a_100000210953_100000210801 [0,2,0,0,0,0|2,0,0]=4 23596 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000210760 [0,2,0,0,0,0|2,0,0]=4 23597 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000210953_100000181238 [0,2,0,0,0,0|2,0,0]=4 23598 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000174878_100000210432 [0,2,0,0,0,0|2,0,0]=4 23599 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000210953_100000210801 [0,2,0,0,0,0|2,0,0]=4 23600 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000174878_100000210624 [0,2,0,0,0,0|2,0,0]=4 23601 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000210953_100000187163 [0,2,0,0,0,0|2,0,0]=4 23602 B13R1.149 CC(C)CNCc1cccc(c1)F 207a_100000210953_100000210812 [0,2,0,0,0,0|2,0,0]=4 23603 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000174948_100000210760 [0,2,0,0,0,0|2,0,0]=4 23604 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000210953_100000230114 [0,2,0,0,0,0|2,0,0]=4 23605 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000174948_100000210432 [0,2,0,0,0,0|2,0,0]=4 23606 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000210953_100000210812 [0,2,0,0,0,0|2,0,0]=4 23607 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000174948_100000210624 [0,2,0,0,0,0|2,0,0]=4 23608 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000210953_100000187166 [0,2,0,0,0,0|2,0,0]=4 23609 B13R1.149 CC(C)CNCc1cccc(c1)I 207a_100000210953_100000014684 [0,2,0,0,0,0|2,0,0]=4 23610 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000106179_100000210760 [0,2,0,0,0,0|2,0,0]=4 23611 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000210953_100011218688 [0,2,0,0,0,0|2,0,0]=4 23612 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000106179_100000210432 [0,2,0,0,0,0|2,0,0]=4 23613 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000210953_100000014684 [0,2,0,0,0,0|2,0,0]=4 23614 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000106179_100000210624 [0,2,0,0,0,0|2,0,0]=4 23615 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000210953_100011218688 [0,2,0,0,0,0|2,0,0]=4 23616 B13R1.149 CC(C)CNCc1cccc(c1)O 207a_100000210953_100000188321 [0,2,0,0,0,0|2,0,0]=4 23617 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000210953_100011660834 [0,2,0,0,0,0|2,0,0]=4 23618 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000743036_100000210760 [0,2,0,0,0,0|2,0,0]=4 23619 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000210953_100000188321 [0,2,0,0,0,0|2,0,0]=4 23620 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000743036_100000210432 [0,2,0,0,0,0|2,0,0]=4 23621 B13R1.149 CC(C)CNCc1cccc(c1)O 271570a_203496583355_100015187148 [0,2,0,0,0,0|2,0,0]=4 23622 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000210953_100011660834 [0,2,0,0,0,0|2,0,0]=4 23623 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000743036_100000210624 [0,2,0,0,0,0|2,0,0]=4 23624 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000210257_100000698116 [0,2,0,0,0,0|2,0,0]=4 23625 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000687537_100000210624 [0,2,0,0,0,0|2,0,0]=4 23626 B13R1.149 CC(C)COCc1cccc(c1)Br 7a_100000687537_100000210760 [0,2,0,0,0,0|2,0,0]=4 23627 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000210257_100000187163 [0,2,0,0,0,0|2,0,0]=4 23628 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000241301_100000210624 [0,2,0,0,0,0|2,0,0]=4 23629 B13R1.149 CC(C)COCc1cccc(c1)Cl 7a_100000241301_100000210760 [0,2,0,0,0,0|2,0,0]=4 23630 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210257_100000187166 [0,2,0,0,0,0|2,0,0]=4 23631 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210976_100000210624 [0,2,0,0,0,0|2,0,0]=4 23632 B13R1.149 CC(C)COCc1cccc(c1)F 7a_100000210976_100000210760 [0,2,0,0,0,0|2,0,0]=4 23633 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100000210257_100011218688 [0,2,0,0,0,0|2,0,0]=4 23634 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100011215336_100000210624 [0,2,0,0,0,0|2,0,0]=4 23635 B13R1.149 CC(C)COCc1cccc(c1)I 7a_100011215336_100000210760 [0,2,0,0,0,0|2,0,0]=4 23636 B13R1.149 CC(C)COCc1cccc(c1)N 34a_100000211919_100000210624 [0,2,0,0,0,0|2,0,0]=4 23637 B13R1.149 CC(C)COCc1cccc(c1)O 34a_100000210257_100011660834 [0,2,0,0,0,0|2,0,0]=4 23638 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000210624_100000211773 [0,2,0,0,0,0|2,0,0]=4 23639 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000211773_100000210760 [0,2,0,0,0,0|2,0,0]=4 23640 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000187163_100000210760 [0,2,0,0,0,0|2,0,0]=4 23641 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000210624_100000187163 [0,2,0,0,0,0|2,0,0]=4 23642 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000210624_100000230114 [0,2,0,0,0,0|2,0,0]=4 23643 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000230114_100000210760 [0,2,0,0,0,0|2,0,0]=4 23644 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100000210624_100011218688 [0,2,0,0,0,0|2,0,0]=4 23645 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100011218688_100000210760 [0,2,0,0,0,0|2,0,0]=4 23646 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100000210624_100011660834 [0,2,0,0,0,0|2,0,0]=4 23647 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100011660834_100000210760 [0,2,0,0,0,0|2,0,0]=4 23648 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000210206 [0,2,0,0,0,0|2,0,0]=4 23649 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100138425928_100011740638 [0,2,0,0,0,0|2,0,0]=4 23650 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100011207229_100000210206 [0,2,0,0,0,0|2,0,0]=4 23651 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100138425928_100011740638 [0,2,0,0,0,0|2,0,0]=4 23652 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000210206 [0,2,0,0,0,0|2,0,0]=4 23653 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100138425928_100011713710 [0,2,0,0,0,0|2,0,0]=4 23654 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100000185263_100000210206 [0,2,0,0,0,0|2,0,0]=4 23655 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100138425928_100011713710 [0,2,0,0,0,0|2,0,0]=4 23656 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100000205154_100000210206 [0,2,0,0,0,0|2,0,0]=4 23657 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100138425928_100011217235 [0,2,0,0,0,0|2,0,0]=4 23658 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100000205154_100000210206 [0,2,0,0,0,0|2,0,0]=4 23659 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100138425928_100011217235 [0,2,0,0,0,0|2,0,0]=4 23660 B13R1.149 CC(C)NCCc1cccc(c1)O 2230a_100000747277_100000210206 [0,2,0,0,0,0|2,0,0]=4 23661 B13R1.149 CC(C)NCCc1cccc(c1)O 34a_100000747277_100000210206 [0,2,0,0,0,0|2,0,0]=4 23662 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100000212225_100011740638 [0,2,0,0,0,0|2,0,0]=4 23663 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100011217444_100000210206 [0,2,0,0,0,0|2,0,0]=4 23664 B13R1.149 CC(C)OCCc1cccc(c1)Br 7a_100011217444_100000210206 [0,2,0,0,0,0|2,0,0]=4 23665 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000212225_100011713710 [0,2,0,0,0,0|2,0,0]=4 23666 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000754733_100000210206 [0,2,0,0,0,0|2,0,0]=4 23667 B13R1.149 CC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000210206 [0,2,0,0,0,0|2,0,0]=4 23668 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000212225_100011217235 [0,2,0,0,0,0|2,0,0]=4 23669 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000763591_100000210206 [0,2,0,0,0,0|2,0,0]=4 23670 B13R1.149 CC(C)OCCc1cccc(c1)F 7a_100000763591_100000210206 [0,2,0,0,0,0|2,0,0]=4 23671 B13R1.149 CC(C)OCCc1cccc(c1)N 34a_100011996697_100000210206 [0,2,0,0,0,0|2,0,0]=4 23672 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100000210206_100011740638 [0,2,0,0,0,0|2,0,0]=4 23673 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100011740638_100000210206 [0,2,0,0,0,0|2,0,0]=4 23674 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100000210206_100011713710 [0,2,0,0,0,0|2,0,0]=4 23675 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000210206 [0,2,0,0,0,0|2,0,0]=4 23676 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100000210206_100011217235 [0,2,0,0,0,0|2,0,0]=4 23677 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100011217235_100000210206 [0,2,0,0,0,0|2,0,0]=4 23678 B13R1.149 CC(F)COCc1cccc(c1)Br 34a_100015925927_100000698116 [0,2,0,0,0,0|2,0,0]=4 23679 B13R1.149 CC(F)COCc1cccc(c1)Cl 34a_100015925927_100000187163 [0,2,0,0,0,0|2,0,0]=4 23680 B13R1.149 CC(F)COCc1cccc(c1)F 34a_100015925927_100000187166 [0,2,0,0,0,0|2,0,0]=4 23681 B13R1.149 CC(F)COCc1cccc(c1)I 34a_100015925927_100011218688 [0,2,0,0,0,0|2,0,0]=4 23682 B13R1.149 CC(F)COCc1cccc(c1)O 34a_100015925927_100011660834 [0,2,0,0,0,0|2,0,0]=4 23683 B13R1.149 CC(O)CCNc1cccc(c1)Br 34a_100000210019_100012276601 [0,2,0,0,0,0|2,0,0]=4 23684 B13R1.149 CC(O)CCNc1cccc(c1)Cl 34a_100000185859_100012276601 [0,2,0,0,0,0|2,0,0]=4 23685 B13R1.149 CC(O)CCNc1cccc(c1)F 34a_100000210047_100012276601 [0,2,0,0,0,0|2,0,0]=4 23686 B13R1.149 CC(O)CCNc1cccc(c1)I 34a_100000211102_100012276601 [0,2,0,0,0,0|2,0,0]=4 23687 B13R1.149 CC(O)CCNc1cccc(c1)O 34a_100000210217_100012276601 [0,2,0,0,0,0|2,0,0]=4 23688 B13R1.149 CC(O)CCOc1cccc(c1)Br 34a_100000210342_100012276601 [0,2,0,0,0,0|2,0,0]=4 23689 B13R1.149 CC(O)CCOc1cccc(c1)Br 7a_100000210342_100012276601 [0,2,0,0,0,0|2,0,0]=4 23690 B13R1.149 CC(O)CCOc1cccc(c1)Cl 34a_100000210295_100012276601 [0,2,0,0,0,0|2,0,0]=4 23691 B13R1.149 CC(O)CCOc1cccc(c1)Cl 7a_100000210295_100012276601 [0,2,0,0,0,0|2,0,0]=4 23692 B13R1.149 CC(O)CCOc1cccc(c1)F 34a_100000210426_100012276601 [0,2,0,0,0,0|2,0,0]=4 23693 B13R1.149 CC(O)CCOc1cccc(c1)F 7a_100000210426_100012276601 [0,2,0,0,0,0|2,0,0]=4 23694 B13R1.149 CC(O)CCOc1cccc(c1)I 34a_100000211634_100012276601 [0,2,0,0,0,0|2,0,0]=4 23695 B13R1.149 CC(O)CCOc1cccc(c1)I 7a_100000211634_100012276601 [0,2,0,0,0,0|2,0,0]=4 23696 B13R1.149 CC(O)CCOc1cccc(c1)N 34a_100000210217_100012276601 [0,2,0,0,0,0|2,0,0]=4 23697 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100000691529_100012276601 [0,2,0,0,0,0|2,0,0]=4 23698 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100012276601_100000691529 [0,2,0,0,0,0|2,0,0]=4 23699 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100000699651_100012276601 [0,2,0,0,0,0|2,0,0]=4 23700 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100012276601_100000699651 [0,2,0,0,0,0|2,0,0]=4 23701 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100000685547_100012276601 [0,2,0,0,0,0|2,0,0]=4 23702 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100012276601_100000685547 [0,2,0,0,0,0|2,0,0]=4 23703 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100000210019_100012276601 [0,2,0,0,0,0|2,0,0]=4 23704 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100012276601_100000210019 [0,2,0,0,0,0|2,0,0]=4 23705 B13R1.149 CC(O)CCSc1cccc(c1)O 62a_100012276601_100000211634 [0,2,0,0,0,0|2,0,0]=4 23706 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_100012276601_114929384022 [0,2,0,0,0,0|2,0,0]=4 23707 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_114929384022_100012276601 [0,2,0,0,0,0|2,0,0]=4 23708 B13R1.149 CC(O)CNCc1cccc(c1)Br 207a_100000210904_100000210085 [0,2,0,0,0,0|2,0,0]=4 23709 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000174977_100011218427 [0,2,0,0,0,0|2,0,0]=4 23710 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000210904_100000698116 [0,2,0,0,0,0|2,0,0]=4 23711 B13R1.149 CC(O)CNCc1cccc(c1)Br 270004a_100000210904_100000210085 [0,2,0,0,0,0|2,0,0]=4 23712 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000174977_100011218427 [0,2,0,0,0,0|2,0,0]=4 23713 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000210904_100000698116 [0,2,0,0,0,0|2,0,0]=4 23714 B13R1.149 CC(O)CNCc1cccc(c1)Cl 207a_100000210904_100000210801 [0,2,0,0,0,0|2,0,0]=4 23715 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100011218427 [0,2,0,0,0,0|2,0,0]=4 23716 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000210904_100000181238 [0,2,0,0,0,0|2,0,0]=4 23717 B13R1.149 CC(O)CNCc1cccc(c1)Cl 270004a_100000210904_100000210801 [0,2,0,0,0,0|2,0,0]=4 23718 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000174878_100011218427 [0,2,0,0,0,0|2,0,0]=4 23719 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,2,0,0,0,0|2,0,0]=4 23720 B13R1.149 CC(O)CNCc1cccc(c1)F 207a_100000210904_100000210812 [0,2,0,0,0,0|2,0,0]=4 23721 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000174948_100011218427 [0,2,0,0,0,0|2,0,0]=4 23722 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000210904_100000230114 [0,2,0,0,0,0|2,0,0]=4 23723 B13R1.149 CC(O)CNCc1cccc(c1)F 270004a_100000210904_100000210812 [0,2,0,0,0,0|2,0,0]=4 23724 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000174948_100011218427 [0,2,0,0,0,0|2,0,0]=4 23725 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000210904_100000187166 [0,2,0,0,0,0|2,0,0]=4 23726 B13R1.149 CC(O)CNCc1cccc(c1)I 207a_100000210904_100000014684 [0,2,0,0,0,0|2,0,0]=4 23727 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000106179_100011218427 [0,2,0,0,0,0|2,0,0]=4 23728 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000210904_100011218688 [0,2,0,0,0,0|2,0,0]=4 23729 B13R1.149 CC(O)CNCc1cccc(c1)I 270004a_100000210904_100000014684 [0,2,0,0,0,0|2,0,0]=4 23730 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000106179_100011218427 [0,2,0,0,0,0|2,0,0]=4 23731 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000210904_100011218688 [0,2,0,0,0,0|2,0,0]=4 23732 B13R1.149 CC(O)CNCc1cccc(c1)O 207a_100000210904_100000188321 [0,2,0,0,0,0|2,0,0]=4 23733 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000210904_100011660834 [0,2,0,0,0,0|2,0,0]=4 23734 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000743036_100011218427 [0,2,0,0,0,0|2,0,0]=4 23735 B13R1.149 CC(O)CNCc1cccc(c1)O 270004a_100000210904_100000188321 [0,2,0,0,0,0|2,0,0]=4 23736 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000210904_100011660834 [0,2,0,0,0,0|2,0,0]=4 23737 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000743036_100011218427 [0,2,0,0,0,0|2,0,0]=4 23738 B13R1.149 CC(O)COCc1cccc(c1)Br 34a_100000687537_100011218427 [0,2,0,0,0,0|2,0,0]=4 23739 B13R1.149 CC(O)COCc1cccc(c1)Br 7a_100000687537_100011218427 [0,2,0,0,0,0|2,0,0]=4 23740 B13R1.149 CC(O)COCc1cccc(c1)Cl 34a_100000241301_100011218427 [0,2,0,0,0,0|2,0,0]=4 23741 B13R1.149 CC(O)COCc1cccc(c1)Cl 7a_100000241301_100011218427 [0,2,0,0,0,0|2,0,0]=4 23742 B13R1.149 CC(O)COCc1cccc(c1)F 34a_100000210976_100011218427 [0,2,0,0,0,0|2,0,0]=4 23743 B13R1.149 CC(O)COCc1cccc(c1)F 7a_100000210976_100011218427 [0,2,0,0,0,0|2,0,0]=4 23744 B13R1.149 CC(O)COCc1cccc(c1)I 34a_100011215336_100011218427 [0,2,0,0,0,0|2,0,0]=4 23745 B13R1.149 CC(O)COCc1cccc(c1)I 7a_100011215336_100011218427 [0,2,0,0,0,0|2,0,0]=4 23746 B13R1.149 CC(O)COCc1cccc(c1)N 34a_100000211919_100011218427 [0,2,0,0,0,0|2,0,0]=4 23747 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100000211773_100011218427 [0,2,0,0,0,0|2,0,0]=4 23748 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100011218427_100000211773 [0,2,0,0,0,0|2,0,0]=4 23749 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011218427 [0,2,0,0,0,0|2,0,0]=4 23750 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100011218427_100000187163 [0,2,0,0,0,0|2,0,0]=4 23751 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100000230114_100011218427 [0,2,0,0,0,0|2,0,0]=4 23752 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100011218427_100000230114 [0,2,0,0,0,0|2,0,0]=4 23753 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218427_100011218688 [0,2,0,0,0,0|2,0,0]=4 23754 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218688_100011218427 [0,2,0,0,0,0|2,0,0]=4 23755 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011218427_100011660834 [0,2,0,0,0,0|2,0,0]=4 23756 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011660834_100011218427 [0,2,0,0,0,0|2,0,0]=4 23757 B13R1.149 CN(C)CCCc1cccc(c1)Br 2230a_100102631434_100011713683 [0,2,0,0,0,0|2,0,0]=4 23758 B13R1.149 CN(C)CCCc1cccc(c1)Br 269982a_100102631434_100011713683 [0,2,0,0,0,0|2,0,0]=4 23759 B13R1.149 CN(C)CCCc1cccc(c1)F 2230a_100102631434_200000698031 [0,2,0,0,0,0|2,0,0]=4 23760 B13R1.149 CN(C)CCCc1cccc(c1)F 269982a_100102631434_200000698031 [0,2,0,0,0,0|2,0,0]=4 23761 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Br 34a_100016084084_100000698116 [0,2,0,0,0,0|2,0,0]=4 23762 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Cl 34a_100016084084_100000187163 [0,2,0,0,0,0|2,0,0]=4 23763 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)F 34a_100016084084_100000187166 [0,2,0,0,0,0|2,0,0]=4 23764 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)I 34a_100016084084_100011218688 [0,2,0,0,0,0|2,0,0]=4 23765 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)O 34a_100016084084_100011660834 [0,2,0,0,0,0|2,0,0]=4 23766 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Br 34a_100000737577_100010173614 [0,2,0,0,0,0|2,0,0]=4 23767 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Cl 34a_100000737577_100016988179 [0,2,0,0,0,0|2,0,0]=4 23768 B13R1.149 C[C@@H](N)COCc1cccc(c1)Br 34a_100000737577_100000698116 [0,2,0,0,0,0|1,0,0]=3 23769 B13R1.149 C[C@@H](N)COCc1cccc(c1)Cl 34a_100000737577_100000187163 [0,2,0,0,0,0|1,0,0]=3 23770 B13R1.149 C[C@@H](N)COCc1cccc(c1)F 34a_100000737577_100000187166 [0,2,0,0,0,0|1,0,0]=3 23771 B13R1.149 C[C@@H](N)COCc1cccc(c1)I 34a_100000737577_100011218688 [0,2,0,0,0,0|1,0,0]=3 23772 B13R1.149 C[C@@H](N)COCc1cccc(c1)O 34a_100000737577_100011660834 [0,2,0,0,0,0|1,0,0]=3 23773 B13R1.149 C[C@@H](N)COCc1cccc(n1)Br 34a_100000737577_100009889011 [0,2,0,0,0,0|2,0,0]=4 23774 B13R1.149 C[C@@H](N)COCc1cccc(n1)Cl 34a_100000737577_100000086093 [0,2,0,0,0,0|2,0,0]=4 23775 B13R1.149 C[C@@H](N)COCc1cccc(n1)F 34a_100000737577_100009819644 [0,2,0,0,0,0|2,0,0]=4 23776 B13R1.149 C[C@@H](N)COCc1ccnc(c1)Br 34a_100000737577_100010243470 [0,2,0,0,0,0|2,0,0]=4 23777 B13R1.149 C[C@@H](N)COCc1ccnc(c1)Cl 34a_100000737577_100000764220 [0,2,0,0,0,0|2,0,0]=4 23778 B13R1.149 C[C@@H](N)COCc1cncc(c1)Br 34a_100000737577_100000738771 [0,2,0,0,0,0|2,0,0]=4 23779 B13R1.149 C[C@@H](N)COCc1cncc(c1)Cl 34a_100000737577_100016992070 [0,2,0,0,0,0|2,0,0]=4 23780 B13R1.149 C[C@@H](N)COCc1cncc(c1)F 34a_100000737577_100000725299 [0,2,0,0,0,0|2,0,0]=4 23781 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 2230a_100000174977_100009817552 [0,2,0,0,0,0|2,0,0]=4 23782 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 34a_100000174977_100009817552 [0,2,0,0,0,0|2,0,0]=4 23783 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 2230a_100000174878_100009817552 [0,2,0,0,0,0|2,0,0]=4 23784 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 34a_100000174878_100009817552 [0,2,0,0,0,0|2,0,0]=4 23785 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 2230a_100000174948_100009817552 [0,2,0,0,0,0|2,0,0]=4 23786 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 34a_100000174948_100009817552 [0,2,0,0,0,0|2,0,0]=4 23787 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 2230a_100000106179_100009817552 [0,2,0,0,0,0|2,0,0]=4 23788 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 34a_100000106179_100009817552 [0,2,0,0,0,0|2,0,0]=4 23789 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 2230a_100000743036_100009817552 [0,2,0,0,0,0|2,0,0]=4 23790 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 34a_100000743036_100009817552 [0,2,0,0,0,0|2,0,0]=4 23791 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 34a_100000687537_100009817552 [0,2,0,0,0,0|2,0,0]=4 23792 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 7a_100000687537_100009817552 [0,2,0,0,0,0|2,0,0]=4 23793 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 34a_100000241301_100009817552 [0,2,0,0,0,0|2,0,0]=4 23794 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 7a_100000241301_100009817552 [0,2,0,0,0,0|2,0,0]=4 23795 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 34a_100000210976_100009817552 [0,2,0,0,0,0|2,0,0]=4 23796 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 7a_100000210976_100009817552 [0,2,0,0,0,0|2,0,0]=4 23797 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 34a_100011215336_100009817552 [0,2,0,0,0,0|2,0,0]=4 23798 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 7a_100011215336_100009817552 [0,2,0,0,0,0|2,0,0]=4 23799 B13R1.149 C[C@@H](O)COCc1cccc(c1)N 34a_100000211919_100009817552 [0,2,0,0,0,0|2,0,0]=4 23800 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100000211773_100009817552 [0,2,0,0,0,0|2,0,0]=4 23801 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100009817552_100000211773 [0,2,0,0,0,0|2,0,0]=4 23802 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100000187163_100009817552 [0,2,0,0,0,0|2,0,0]=4 23803 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100009817552_100000187163 [0,2,0,0,0,0|2,0,0]=4 23804 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100000230114_100009817552 [0,2,0,0,0,0|2,0,0]=4 23805 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100009817552_100000230114 [0,2,0,0,0,0|2,0,0]=4 23806 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100009817552_100011218688 [0,2,0,0,0,0|2,0,0]=4 23807 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100011218688_100009817552 [0,2,0,0,0,0|2,0,0]=4 23808 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100009817552_100011660834 [0,2,0,0,0,0|2,0,0]=4 23809 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100011660834_100009817552 [0,2,0,0,0,0|2,0,0]=4 23810 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)N 34a_100000737577_200020672517 [0,2,0,0,0,0|2,0,0]=4 23811 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100000749837_100000210206 [0,2,0,0,0,0|2,0,0]=4 23812 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100138425928_100011713685 [0,2,0,0,0,0|2,0,0]=4 23813 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100000749837_100000210206 [0,2,0,0,0,0|2,0,0]=4 23814 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100138425928_100011713685 [0,2,0,0,0,0|2,0,0]=4 23815 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100000212225_100011713685 [0,2,0,0,0,0|2,0,0]=4 23816 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100011217157_100000210206 [0,2,0,0,0,0|2,0,0]=4 23817 B13R1.149 Cc1cccc(c1)CCOC(C)C 7a_100011217157_100000210206 [0,2,0,0,0,0|2,0,0]=4 23818 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100000210206_100011713685 [0,2,0,0,0,0|2,0,0]=4 23819 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100011713685_100000210206 [0,2,0,0,0,0|2,0,0]=4 23820 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000185548_100000747473 [0,2,0,0,0,0|1,0,1]=4 23821 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211840 [0,2,0,0,0,0|1,0,1]=4 23822 B13R1.149 Cc1cccc(c1)CNCC(=O)N 34a_100000185548_100000187820 [0,2,0,0,0,0|1,0,1]=4 23823 B13R1.149 Cc1cccc(c1)CNCC(C)C 207a_100000210953_100000211157 [0,2,0,0,0,0|2,0,0]=4 23824 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000185548_100000210760 [0,2,0,0,0,0|2,0,0]=4 23825 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000210953_100000211840 [0,2,0,0,0,0|2,0,0]=4 23826 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000185548_100000210432 [0,2,0,0,0,0|2,0,0]=4 23827 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000210953_100000211157 [0,2,0,0,0,0|2,0,0]=4 23828 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000185548_100000210624 [0,2,0,0,0,0|2,0,0]=4 23829 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000210953_100000211840 [0,2,0,0,0,0|2,0,0]=4 23830 B13R1.149 Cc1cccc(c1)CNCC(C)O 207a_100000210904_100000211157 [0,2,0,0,0,0|2,0,0]=4 23831 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000185548_100011218427 [0,2,0,0,0,0|2,0,0]=4 23832 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000210904_100000211840 [0,2,0,0,0,0|2,0,0]=4 23833 B13R1.149 Cc1cccc(c1)CNCC(C)O 270004a_100000210904_100000211157 [0,2,0,0,0,0|2,0,0]=4 23834 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000185548_100011218427 [0,2,0,0,0,0|2,0,0]=4 23835 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000210904_100000211840 [0,2,0,0,0,0|2,0,0]=4 23836 B13R1.149 Cc1cccc(c1)CNCC(F)F 207a_100000765723_100000211157 [0,2,0,0,0,0|2,0,0]=4 23837 B13R1.149 Cc1cccc(c1)CNCC(F)F 2230a_100000185548_100011934356 [0,2,0,0,0,0|2,0,0]=4 23838 B13R1.149 Cc1cccc(c1)CNCC(F)F 270004a_100000765723_100000211157 [0,2,0,0,0,0|2,0,0]=4 23839 B13R1.149 Cc1cccc(c1)CNCC(F)F 34a_100000185548_100011934356 [0,2,0,0,0,0|2,0,0]=4 23840 B13R1.149 Cc1cccc(c1)CNCC(F)F 34a_100000765723_100000211840 [0,2,0,0,0,0|2,0,0]=4 23841 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 2230a_100000185548_100009817552 [0,2,0,0,0,0|2,0,0]=4 23842 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 34a_100000185548_100009817552 [0,2,0,0,0,0|2,0,0]=4 23843 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [0,2,0,0,0,0|1,0,1]=4 23844 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [0,2,0,0,0,0|1,0,1]=4 23845 B13R1.149 Cc1cccc(c1)COCC(C)Br 34a_100012180447_100000211840 [0,2,0,0,0,0|2,0,0]=4 23846 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100000210257_100000211840 [0,2,0,0,0,0|2,0,0]=4 23847 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100011217746_100000210624 [0,2,0,0,0,0|2,0,0]=4 23848 B13R1.149 Cc1cccc(c1)COCC(C)C 7a_100011217746_100000210760 [0,2,0,0,0,0|2,0,0]=4 23849 B13R1.149 Cc1cccc(c1)COCC(C)F 34a_100015925927_100000211840 [0,2,0,0,0,0|2,0,0]=4 23850 B13R1.149 Cc1cccc(c1)COCC(C)O 34a_100011217746_100011218427 [0,2,0,0,0,0|2,0,0]=4 23851 B13R1.149 Cc1cccc(c1)COCC(C)O 7a_100011217746_100011218427 [0,2,0,0,0,0|2,0,0]=4 23852 B13R1.149 Cc1cccc(c1)COCC(F)F 34a_100000743014_100000211840 [0,2,0,0,0,0|2,0,0]=4 23853 B13R1.149 Cc1cccc(c1)COCC(F)F 34a_100011217746_100011934356 [0,2,0,0,0,0|2,0,0]=4 23854 B13R1.149 Cc1cccc(c1)COCC(F)F 7a_100011217746_100011934356 [0,2,0,0,0,0|2,0,0]=4 23855 B13R1.149 Cc1cccc(c1)COC[C@@H](C)Cl 34a_100016084084_100000211840 [0,2,0,0,0,0|2,0,0]=4 23856 B13R1.149 Cc1cccc(c1)COC[C@@H](C)N 34a_100000737577_100000211840 [0,2,0,0,0,0|1,0,0]=3 23857 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 34a_100011217746_100009817552 [0,2,0,0,0,0|2,0,0]=4 23858 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 7a_100011217746_100009817552 [0,2,0,0,0,0|2,0,0]=4 23859 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [0,2,0,0,0,0|1,0,1]=4 23860 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [0,2,0,0,0,0|1,0,1]=4 23861 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000210624_100000211840 [0,2,0,0,0,0|2,0,0]=4 23862 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000211840_100000210760 [0,2,0,0,0,0|2,0,0]=4 23863 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100000211840_100011218427 [0,2,0,0,0,0|2,0,0]=4 23864 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100011218427_100000211840 [0,2,0,0,0,0|2,0,0]=4 23865 B13R1.149 Cc1cccc(c1)CSCC(F)F 62a_100000211840_100011934356 [0,2,0,0,0,0|2,0,0]=4 23866 B13R1.149 Cc1cccc(c1)CSCC(F)F 62a_100011934356_100000211840 [0,2,0,0,0,0|2,0,0]=4 23867 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100000211840_100009817552 [0,2,0,0,0,0|2,0,0]=4 23868 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100009817552_100000211840 [0,2,0,0,0,0|2,0,0]=4 23869 B13R1.149 Cc1cccc(c1)NCCC(=O)N 2230a_100000188690_100000744528 [0,2,0,0,0,0|1,0,1]=4 23870 B13R1.149 Cc1cccc(c1)NCCC(=O)N 34a_100000188690_100000731001 [0,2,0,0,0,0|1,0,1]=4 23871 B13R1.149 Cc1cccc(c1)NCCC(C)C 2230a_100000188690_100000210312 [0,2,0,0,0,0|2,0,0]=4 23872 B13R1.149 Cc1cccc(c1)NCCC(C)C 34a_100000188690_100000210312 [0,2,0,0,0,0|2,0,0]=4 23873 B13R1.149 Cc1cccc(c1)NCCC(C)O 2230a_100000188690_100012276601 [0,2,0,0,0,0|2,0,0]=4 23874 B13R1.149 Cc1cccc(c1)NCCC(C)O 34a_100000188690_100012276601 [0,2,0,0,0,0|2,0,0]=4 23875 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [0,2,0,0,0,0|1,0,1]=4 23876 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [0,2,0,0,0,0|1,0,1]=4 23877 B13R1.149 Cc1cccc(c1)OCCC(C)C 34a_100000210337_100000210312 [0,2,0,0,0,0|2,0,0]=4 23878 B13R1.149 Cc1cccc(c1)OCCC(C)C 7a_100000210337_100000210626 [0,2,0,0,0,0|2,0,0]=4 23879 B13R1.149 Cc1cccc(c1)OCCC(C)O 34a_100000210337_100012276601 [0,2,0,0,0,0|2,0,0]=4 23880 B13R1.149 Cc1cccc(c1)OCCC(C)O 7a_100000210337_100012276601 [0,2,0,0,0,0|2,0,0]=4 23881 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215228 [0,2,0,0,0,0|1,0,1]=4 23882 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100011215228_100000744528 [0,2,0,0,0,0|1,0,1]=4 23883 B13R1.149 Cc1cccc(c1)SCCC(C)C 62a_100000210312_100011215228 [0,2,0,0,0,0|2,0,0]=4 23884 B13R1.149 Cc1cccc(c1)SCCC(C)C 62a_100011215228_100000210312 [0,2,0,0,0,0|2,0,0]=4 23885 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100011215228_100012276601 [0,2,0,0,0,0|2,0,0]=4 23886 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100012276601_100011215228 [0,2,0,0,0,0|2,0,0]=4 23887 B13R1.149 Cc1cccc(n1)COC[C@@H](C)N 34a_100000737577_100000757606 [0,2,0,0,0,0|2,0,0]=4 23888 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)N 34a_100000737577_100000718516 [0,2,0,0,0,0|2,0,0]=4 23889 B13R1.149 Cc1cncc(c1)COC[C@@H](C)N 34a_100000737577_100000716715 [0,2,0,0,0,0|2,0,0]=4 23890 B13R1.149 FC(F)CNCc1cccc(c1)Br 207a_100000765723_100000210085 [0,2,0,0,0,0|2,0,0]=4 23891 B13R1.149 FC(F)CNCc1cccc(c1)Br 2230a_100000174977_100011934356 [0,2,0,0,0,0|2,0,0]=4 23892 B13R1.149 FC(F)CNCc1cccc(c1)Br 270004a_100000765723_100000210085 [0,2,0,0,0,0|2,0,0]=4 23893 B13R1.149 FC(F)CNCc1cccc(c1)Br 34a_100000174977_100011934356 [0,2,0,0,0,0|2,0,0]=4 23894 B13R1.149 FC(F)CNCc1cccc(c1)Br 34a_100000765723_100000698116 [0,2,0,0,0,0|2,0,0]=4 23895 B13R1.149 FC(F)CNCc1cccc(c1)Cl 207a_100000765723_100000210801 [0,2,0,0,0,0|2,0,0]=4 23896 B13R1.149 FC(F)CNCc1cccc(c1)Cl 2230a_100000174878_100011934356 [0,2,0,0,0,0|2,0,0]=4 23897 B13R1.149 FC(F)CNCc1cccc(c1)Cl 270004a_100000765723_100000210801 [0,2,0,0,0,0|2,0,0]=4 23898 B13R1.149 FC(F)CNCc1cccc(c1)Cl 34a_100000174878_100011934356 [0,2,0,0,0,0|2,0,0]=4 23899 B13R1.149 FC(F)CNCc1cccc(c1)Cl 34a_100000765723_100000187163 [0,2,0,0,0,0|2,0,0]=4 23900 B13R1.149 FC(F)CNCc1cccc(c1)I 207a_100000765723_100000014684 [0,2,0,0,0,0|2,0,0]=4 23901 B13R1.149 FC(F)CNCc1cccc(c1)I 2230a_100000106179_100011934356 [0,2,0,0,0,0|2,0,0]=4 23902 B13R1.149 FC(F)CNCc1cccc(c1)I 270004a_100000765723_100000014684 [0,2,0,0,0,0|2,0,0]=4 23903 B13R1.149 FC(F)CNCc1cccc(c1)I 34a_100000106179_100011934356 [0,2,0,0,0,0|2,0,0]=4 23904 B13R1.149 FC(F)CNCc1cccc(c1)I 34a_100000765723_100011218688 [0,2,0,0,0,0|2,0,0]=4 23905 B13R1.149 FC(F)COCc1cccc(c1)Br 34a_100000687537_100011934356 [0,2,0,0,0,0|2,0,0]=4 23906 B13R1.149 FC(F)COCc1cccc(c1)Br 34a_100000743014_100000698116 [0,2,0,0,0,0|2,0,0]=4 23907 B13R1.149 FC(F)COCc1cccc(c1)Br 7a_100000687537_100011934356 [0,2,0,0,0,0|2,0,0]=4 23908 B13R1.149 FC(F)COCc1cccc(c1)Cl 34a_100000241301_100011934356 [0,2,0,0,0,0|2,0,0]=4 23909 B13R1.149 FC(F)COCc1cccc(c1)Cl 34a_100000743014_100000187163 [0,2,0,0,0,0|2,0,0]=4 23910 B13R1.149 FC(F)COCc1cccc(c1)Cl 7a_100000241301_100011934356 [0,2,0,0,0,0|2,0,0]=4 23911 B13R1.149 FC(F)COCc1cccc(c1)I 34a_100000743014_100011218688 [0,2,0,0,0,0|2,0,0]=4 23912 B13R1.149 FC(F)COCc1cccc(c1)I 34a_100011215336_100011934356 [0,2,0,0,0,0|2,0,0]=4 23913 B13R1.149 FC(F)COCc1cccc(c1)I 7a_100011215336_100011934356 [0,2,0,0,0,0|2,0,0]=4 23914 B13R1.149 FC(F)CSCc1cccc(c1)Br 62a_100000211773_100011934356 [0,2,0,0,0,0|2,0,0]=4 23915 B13R1.149 FC(F)CSCc1cccc(c1)Br 62a_100011934356_100000211773 [0,2,0,0,0,0|2,0,0]=4 23916 B13R1.149 FC(F)CSCc1cccc(c1)Cl 62a_100000187163_100011934356 [0,2,0,0,0,0|2,0,0]=4 23917 B13R1.149 FC(F)CSCc1cccc(c1)Cl 62a_100011934356_100000187163 [0,2,0,0,0,0|2,0,0]=4 23918 B13R1.149 FC(F)CSCc1cccc(c1)I 62a_100011218688_100011934356 [0,2,0,0,0,0|2,0,0]=4 23919 B13R1.149 FC(F)CSCc1cccc(c1)I 62a_100011934356_100011218688 [0,2,0,0,0,0|2,0,0]=4 23920 B13R1.149 Fc1cccc(c1)CNCC(F)F 207a_100000765723_100000210812 [0,2,0,0,0,0|2,0,0]=4 23921 B13R1.149 Fc1cccc(c1)CNCC(F)F 2230a_100000174948_100011934356 [0,2,0,0,0,0|2,0,0]=4 23922 B13R1.149 Fc1cccc(c1)CNCC(F)F 270004a_100000765723_100000210812 [0,2,0,0,0,0|2,0,0]=4 23923 B13R1.149 Fc1cccc(c1)CNCC(F)F 34a_100000174948_100011934356 [0,2,0,0,0,0|2,0,0]=4 23924 B13R1.149 Fc1cccc(c1)CNCC(F)F 34a_100000765723_100000187166 [0,2,0,0,0,0|2,0,0]=4 23925 B13R1.149 Fc1cccc(c1)COCC(F)F 34a_100000210976_100011934356 [0,2,0,0,0,0|2,0,0]=4 23926 B13R1.149 Fc1cccc(c1)COCC(F)F 34a_100000743014_100000187166 [0,2,0,0,0,0|2,0,0]=4 23927 B13R1.149 Fc1cccc(c1)COCC(F)F 7a_100000210976_100011934356 [0,2,0,0,0,0|2,0,0]=4 23928 B13R1.149 Fc1cccc(c1)CSCC(F)F 62a_100000230114_100011934356 [0,2,0,0,0,0|2,0,0]=4 23929 B13R1.149 Fc1cccc(c1)CSCC(F)F 62a_100011934356_100000230114 [0,2,0,0,0,0|2,0,0]=4 23930 B13R1.149 NC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000731001 [0,2,0,0,0,0|1,0,1]=4 23931 B13R1.149 NC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000731001 [0,2,0,0,0,0|1,0,1]=4 23932 B13R1.149 NC(=O)CCNc1cccc(c1)F 34a_100000210047_100000731001 [0,2,0,0,0,0|1,0,1]=4 23933 B13R1.149 NC(=O)CCNc1cccc(c1)I 34a_100000211102_100000731001 [0,2,0,0,0,0|1,0,1]=4 23934 B13R1.149 NC(=O)CCNc1cccc(c1)O 34a_100000210217_100000731001 [0,2,0,0,0,0|1,0,1]=4 23935 B13R1.149 NC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731001 [0,2,0,0,0,0|1,0,1]=4 23936 B13R1.149 NC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000744528 [0,2,0,0,0,0|1,0,1]=4 23937 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731001 [0,2,0,0,0,0|1,0,1]=4 23938 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000744528 [0,2,0,0,0,0|1,0,1]=4 23939 B13R1.149 NC(=O)CCOc1cccc(c1)F 34a_100000210426_100000731001 [0,2,0,0,0,0|1,0,1]=4 23940 B13R1.149 NC(=O)CCOc1cccc(c1)F 7a_100000210426_100000744528 [0,2,0,0,0,0|1,0,1]=4 23941 B13R1.149 NC(=O)CCOc1cccc(c1)I 34a_100000211634_100000731001 [0,2,0,0,0,0|1,0,1]=4 23942 B13R1.149 NC(=O)CCOc1cccc(c1)I 7a_100000211634_100000744528 [0,2,0,0,0,0|1,0,1]=4 23943 B13R1.149 NC(=O)CCOc1cccc(c1)N 34a_100000210217_100000731001 [0,2,0,0,0,0|1,0,1]=4 23944 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000744528 [0,2,0,0,0,0|1,0,1]=4 23945 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000744528_100000691529 [0,2,0,0,0,0|1,0,1]=4 23946 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000744528 [0,2,0,0,0,0|1,0,1]=4 23947 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000744528_100000699651 [0,2,0,0,0,0|1,0,1]=4 23948 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000685547_100000744528 [0,2,0,0,0,0|1,0,1]=4 23949 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000744528_100000685547 [0,2,0,0,0,0|1,0,1]=4 23950 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000210019_100000744528 [0,2,0,0,0,0|1,0,1]=4 23951 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000744528_100000210019 [0,2,0,0,0,0|1,0,1]=4 23952 B13R1.149 NC(=O)CCSc1cccc(c1)O 62a_100000744528_100000211634 [0,2,0,0,0,0|1,0,1]=4 23953 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_100000744528_114929384022 [0,2,0,0,0,0|1,0,1]=4 23954 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000744528 [0,2,0,0,0,0|1,0,1]=4 23955 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747473 [0,2,0,0,0,0|1,0,1]=4 23956 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000711301_100000698116 [0,2,0,0,0,0|1,0,1]=4 23957 B13R1.149 NC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000187820 [0,2,0,0,0,0|1,0,1]=4 23958 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747473 [0,2,0,0,0,0|1,0,1]=4 23959 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000711301_100000181238 [0,2,0,0,0,0|1,0,1]=4 23960 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000187820 [0,2,0,0,0,0|1,0,1]=4 23961 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747473 [0,2,0,0,0,0|1,0,1]=4 23962 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000711301_100000230114 [0,2,0,0,0,0|1,0,1]=4 23963 B13R1.149 NC(=O)CNCc1cccc(c1)F 34a_100000174948_100000187820 [0,2,0,0,0,0|1,0,1]=4 23964 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747473 [0,2,0,0,0,0|1,0,1]=4 23965 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000711301_100011218688 [0,2,0,0,0,0|1,0,1]=4 23966 B13R1.149 NC(=O)CNCc1cccc(c1)I 34a_100000106179_100000187820 [0,2,0,0,0,0|1,0,1]=4 23967 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000711301_100011660834 [0,2,0,0,0,0|1,0,1]=4 23968 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747473 [0,2,0,0,0,0|1,0,1]=4 23969 B13R1.149 NC(=O)CNCc1cccc(c1)O 34a_100000743036_100000187820 [0,2,0,0,0,0|1,0,1]=4 23970 B13R1.149 NC(=O)COCc1cccc(c1)Br 34a_100000687537_100000187820 [0,2,0,0,0,0|1,0,1]=4 23971 B13R1.149 NC(=O)COCc1cccc(c1)Br 7a_100000687537_100000187820 [0,2,0,0,0,0|1,0,1]=4 23972 B13R1.149 NC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000187820 [0,2,0,0,0,0|1,0,1]=4 23973 B13R1.149 NC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000187820 [0,2,0,0,0,0|1,0,1]=4 23974 B13R1.149 NC(=O)COCc1cccc(c1)F 34a_100000210976_100000187820 [0,2,0,0,0,0|1,0,1]=4 23975 B13R1.149 NC(=O)COCc1cccc(c1)F 7a_100000210976_100000187820 [0,2,0,0,0,0|1,0,1]=4 23976 B13R1.149 NC(=O)COCc1cccc(c1)I 34a_100011215336_100000187820 [0,2,0,0,0,0|1,0,1]=4 23977 B13R1.149 NC(=O)COCc1cccc(c1)I 7a_100011215336_100000187820 [0,2,0,0,0,0|1,0,1]=4 23978 B13R1.149 NC(=O)COCc1cccc(c1)N 34a_100000211919_100000187820 [0,2,0,0,0,0|1,0,1]=4 23979 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747473 [0,2,0,0,0,0|1,0,1]=4 23980 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000747473_100000211773 [0,2,0,0,0,0|1,0,1]=4 23981 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747473 [0,2,0,0,0,0|1,0,1]=4 23982 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000747473_100000187163 [0,2,0,0,0,0|1,0,1]=4 23983 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747473 [0,2,0,0,0,0|1,0,1]=4 23984 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000747473_100000230114 [0,2,0,0,0,0|1,0,1]=4 23985 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100000747473_100011218688 [0,2,0,0,0,0|1,0,1]=4 23986 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747473 [0,2,0,0,0,0|1,0,1]=4 23987 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100000747473_100011660834 [0,2,0,0,0,0|1,0,1]=4 23988 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747473 [0,2,0,0,0,0|1,0,1]=4 23989 B13R1.149 Nc1cccc(c1)COCC(F)F 34a_100000211919_100011934356 [0,2,0,0,0,0|2,0,0]=4 23990 B13R1.149 Oc1cccc(c1)CNCC(F)F 207a_100000765723_100000188321 [0,2,0,0,0,0|2,0,0]=4 23991 B13R1.149 Oc1cccc(c1)CNCC(F)F 2230a_100000743036_100011934356 [0,2,0,0,0,0|2,0,0]=4 23992 B13R1.149 Oc1cccc(c1)CNCC(F)F 270004a_100000765723_100000188321 [0,2,0,0,0,0|2,0,0]=4 23993 B13R1.149 Oc1cccc(c1)CNCC(F)F 34a_100000743036_100011934356 [0,2,0,0,0,0|2,0,0]=4 23994 B13R1.149 Oc1cccc(c1)CNCC(F)F 34a_100000765723_100011660834 [0,2,0,0,0,0|2,0,0]=4 23995 B13R1.149 Oc1cccc(c1)COCC(F)F 34a_100000743014_100011660834 [0,2,0,0,0,0|2,0,0]=4 23996 B13R1.149 Oc1cccc(c1)CSCC(F)F 62a_100011660834_100011934356 [0,2,0,0,0,0|2,0,0]=4 23997 B13R1.149 Oc1cccc(c1)CSCC(F)F 62a_100011934356_100011660834 [0,2,0,0,0,0|2,0,0]=4 23998 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,2,0,0,0,0|1,0,1]=4 23999 B13R1.656 BrCCOCc1cc(ccc1Br)Br 34a_100000211926_100011982794 [0,2,0,0,0,0|2,0,0]=4 24000 B13R1.656 BrCCOCc1cc(ccc1Br)I 34a_100000211926_100012355412 [0,2,0,0,0,0|2,0,0]=4 24001 B13R1.656 BrCCOCc1cc(ccc1I)Br 34a_100000211926_100012362523 [0,2,0,0,0,0|2,0,0]=4 24002 B13R1.656 CCCCNc1cc(ccc1Br)Br 34a_100000737762_100000210210 [0,2,0,0,0,0|2,0,0]=4 24003 B13R1.656 CCCCNc1cc(ccc1Br)C 34a_100000745044_100000210210 [0,2,0,0,0,0|2,0,0]=4 24004 B13R1.656 CCCCNc1cc(ccc1Br)Cl 34a_100000687073_100000210210 [0,2,0,0,0,0|2,0,0]=4 24005 B13R1.656 CCCCNc1cc(ccc1Br)F 34a_100000687223_100000210210 [0,2,0,0,0,0|2,0,0]=4 24006 B13R1.656 CCCCNc1cc(ccc1Br)O 34a_100011999798_100000210210 [0,2,0,0,0,0|2,0,0]=4 24007 B13R1.656 CCCCNc1cc(ccc1C)Br 34a_100000741167_100000210210 [0,2,0,0,0,0|2,0,0]=4 24008 B13R1.656 CCCCNc1cc(ccc1C)Br 7a_100000741167_100000210211 [0,2,0,0,0,0|2,0,0]=4 24009 B13R1.656 CCCCNc1cc(ccc1C)C 2230a_100000185781_100000210211 [0,2,0,0,0,0|2,0,0]=4 24010 B13R1.656 CCCCNc1cc(ccc1C)C 34a_100000185781_100000210210 [0,2,0,0,0,0|2,0,0]=4 24011 B13R1.656 CCCCNc1cc(ccc1C)C 7a_100000185781_100000210211 [0,2,0,0,0,0|2,0,0]=4 24012 B13R1.656 CCCCNc1cc(ccc1C)Cl 34a_100000211374_100000210210 [0,2,0,0,0,0|2,0,0]=4 24013 B13R1.656 CCCCNc1cc(ccc1C)Cl 7a_100000211374_100000210211 [0,2,0,0,0,0|2,0,0]=4 24014 B13R1.656 CCCCNc1cc(ccc1C)F 34a_100000211107_100000210210 [0,2,0,0,0,0|2,0,0]=4 24015 B13R1.656 CCCCNc1cc(ccc1C)F 7a_100000211107_100000210211 [0,2,0,0,0,0|2,0,0]=4 24016 B13R1.656 CCCCNc1cc(ccc1C)I 7a_100000761890_100000210211 [0,2,0,0,0,0|2,0,0]=4 24017 B13R1.656 CCCCNc1cc(ccc1C)O 34a_100011216113_100000210210 [0,2,0,0,0,0|2,0,0]=4 24018 B13R1.656 CCCCNc1cc(ccc1Cl)Br 34a_100000750497_100000210210 [0,2,0,0,0,0|2,0,0]=4 24019 B13R1.656 CCCCNc1cc(ccc1Cl)C 34a_100011215360_100000210210 [0,2,0,0,0,0|2,0,0]=4 24020 B13R1.656 CCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210210 [0,2,0,0,0,0|2,0,0]=4 24021 B13R1.656 CCCCNc1cc(ccc1Cl)F 34a_100000751338_100000210210 [0,2,0,0,0,0|2,0,0]=4 24022 B13R1.656 CCCCNc1cc(ccc1Cl)I 34a_200000761891_100000210210 [0,2,0,0,0,0|2,0,0]=4 24023 B13R1.656 CCCCNc1cc(ccc1Cl)O 34a_100011934297_100000210210 [0,2,0,0,0,0|2,0,0]=4 24024 B13R1.656 CCCCNc1cc(ccc1F)Br 34a_100000740924_100000210210 [0,2,0,0,0,0|2,0,0]=4 24025 B13R1.656 CCCCNc1cc(ccc1F)C 34a_100000211285_100000210210 [0,2,0,0,0,0|2,0,0]=4 24026 B13R1.656 CCCCNc1cc(ccc1F)Cl 34a_100000212115_100000210210 [0,2,0,0,0,0|2,0,0]=4 24027 B13R1.656 CCCCNc1cc(ccc1F)F 34a_100000210742_100000210210 [0,2,0,0,0,0|2,0,0]=4 24028 B13R1.656 CCCCNc1cc(ccc1F)I 34a_100011464823_100000210210 [0,2,0,0,0,0|2,0,0]=4 24029 B13R1.656 CCCCNc1cc(ccc1F)O 34a_100012017239_100000210210 [0,2,0,0,0,0|2,0,0]=4 24030 B13R1.656 CCCCNc1cc(ccc1I)Br 34a_100000743836_100000210210 [0,2,0,0,0,0|2,0,0]=4 24031 B13R1.656 CCCCNc1cc(ccc1I)C 34a_100011216686_100000210210 [0,2,0,0,0,0|2,0,0]=4 24032 B13R1.656 CCCCNc1cc(ccc1I)Cl 34a_100000761886_100000210210 [0,2,0,0,0,0|2,0,0]=4 24033 B13R1.656 CCCCNc1cc(ccc1I)F 34a_100011218093_100000210210 [0,2,0,0,0,0|2,0,0]=4 24034 B13R1.656 CCCCNc1cc(ccc1O)Br 34a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 24035 B13R1.656 CCCCNc1cc(ccc1O)C 34a_100011215204_100000210210 [0,2,0,0,0,0|2,0,0]=4 24036 B13R1.656 CCCCNc1cc(ccc1O)Cl 34a_100000210500_100000210210 [0,2,0,0,0,0|2,0,0]=4 24037 B13R1.656 CCCCNc1cc(ccc1O)F 34a_100000759472_100000210210 [0,2,0,0,0,0|2,0,0]=4 24038 B13R1.656 CCCCOc1cc(ccc1Br)Br 34a_100011220040_100000210210 [0,2,0,0,0,0|2,0,0]=4 24039 B13R1.656 CCCCOc1cc(ccc1Br)Br 7a_100011220040_100000210211 [0,2,0,0,0,0|2,0,0]=4 24040 B13R1.656 CCCCOc1cc(ccc1Br)C 34a_100012002257_100000210210 [0,2,0,0,0,0|2,0,0]=4 24041 B13R1.656 CCCCOc1cc(ccc1Br)C 7a_100012002257_100000210211 [0,2,0,0,0,0|2,0,0]=4 24042 B13R1.656 CCCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210210 [0,2,0,0,0,0|2,0,0]=4 24043 B13R1.656 CCCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210211 [0,2,0,0,0,0|2,0,0]=4 24044 B13R1.656 CCCCOc1cc(ccc1Br)F 34a_100000690578_100000210210 [0,2,0,0,0,0|2,0,0]=4 24045 B13R1.656 CCCCOc1cc(ccc1Br)F 7a_100000690578_100000210211 [0,2,0,0,0,0|2,0,0]=4 24046 B13R1.656 CCCCOc1cc(ccc1Br)I 34a_100012356990_100000210210 [0,2,0,0,0,0|2,0,0]=4 24047 B13R1.656 CCCCOc1cc(ccc1Br)I 7a_100012356990_100000210211 [0,2,0,0,0,0|2,0,0]=4 24048 B13R1.656 CCCCOc1cc(ccc1C)Br 34a_100000685420_100000210210 [0,2,0,0,0,0|2,0,0]=4 24049 B13R1.656 CCCCOc1cc(ccc1C)Br 7a_100000685420_100000210211 [0,2,0,0,0,0|2,0,0]=4 24050 B13R1.656 CCCCOc1cc(ccc1C)C 34a_100000210931_100000210210 [0,2,0,0,0,0|2,0,0]=4 24051 B13R1.656 CCCCOc1cc(ccc1C)C 7a_100000210931_100000210211 [0,2,0,0,0,0|2,0,0]=4 24052 B13R1.656 CCCCOc1cc(ccc1C)Cl 34a_100000756515_100000210210 [0,2,0,0,0,0|2,0,0]=4 24053 B13R1.656 CCCCOc1cc(ccc1C)Cl 7a_100000756515_100000210211 [0,2,0,0,0,0|2,0,0]=4 24054 B13R1.656 CCCCOc1cc(ccc1C)F 34a_100000690566_100000210210 [0,2,0,0,0,0|2,0,0]=4 24055 B13R1.656 CCCCOc1cc(ccc1C)F 7a_100000690566_100000210211 [0,2,0,0,0,0|2,0,0]=4 24056 B13R1.656 CCCCOc1cc(ccc1C)I 7a_100000766334_100000210211 [0,2,0,0,0,0|2,0,0]=4 24057 B13R1.656 CCCCOc1cc(ccc1C)N 34a_100000759471_100000210210 [0,2,0,0,0,0|2,0,0]=4 24058 B13R1.656 CCCCOc1cc(ccc1C)N 7a_100000759471_100000210211 [0,2,0,0,0,0|2,0,0]=4 24059 B13R1.656 CCCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210210 [0,2,0,0,0,0|2,0,0]=4 24060 B13R1.656 CCCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210211 [0,2,0,0,0,0|2,0,0]=4 24061 B13R1.656 CCCCOc1cc(ccc1Cl)C 34a_100000211493_100000210210 [0,2,0,0,0,0|2,0,0]=4 24062 B13R1.656 CCCCOc1cc(ccc1Cl)C 7a_100000211493_100000210211 [0,2,0,0,0,0|2,0,0]=4 24063 B13R1.656 CCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210210 [0,2,0,0,0,0|2,0,0]=4 24064 B13R1.656 CCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210211 [0,2,0,0,0,0|2,0,0]=4 24065 B13R1.656 CCCCOc1cc(ccc1Cl)F 34a_100000692107_100000210210 [0,2,0,0,0,0|2,0,0]=4 24066 B13R1.656 CCCCOc1cc(ccc1Cl)F 7a_100000692107_100000210211 [0,2,0,0,0,0|2,0,0]=4 24067 B13R1.656 CCCCOc1cc(ccc1Cl)I 34a_100011356854_100000210210 [0,2,0,0,0,0|2,0,0]=4 24068 B13R1.656 CCCCOc1cc(ccc1Cl)I 7a_100011356854_100000210211 [0,2,0,0,0,0|2,0,0]=4 24069 B13R1.656 CCCCOc1cc(ccc1Cl)N 34a_100011934209_100000210210 [0,2,0,0,0,0|2,0,0]=4 24070 B13R1.656 CCCCOc1cc(ccc1F)Br 34a_100000686035_100000210210 [0,2,0,0,0,0|2,0,0]=4 24071 B13R1.656 CCCCOc1cc(ccc1F)Br 7a_100000686035_100000210211 [0,2,0,0,0,0|2,0,0]=4 24072 B13R1.656 CCCCOc1cc(ccc1F)C 34a_100000759540_100000210210 [0,2,0,0,0,0|2,0,0]=4 24073 B13R1.656 CCCCOc1cc(ccc1F)C 7a_100000759540_100000210211 [0,2,0,0,0,0|2,0,0]=4 24074 B13R1.656 CCCCOc1cc(ccc1F)Cl 34a_100000757397_100000210210 [0,2,0,0,0,0|2,0,0]=4 24075 B13R1.656 CCCCOc1cc(ccc1F)Cl 7a_100000757397_100000210211 [0,2,0,0,0,0|2,0,0]=4 24076 B13R1.656 CCCCOc1cc(ccc1F)F 34a_100000752141_100000210210 [0,2,0,0,0,0|2,0,0]=4 24077 B13R1.656 CCCCOc1cc(ccc1F)F 7a_100000752141_100000210211 [0,2,0,0,0,0|2,0,0]=4 24078 B13R1.656 CCCCOc1cc(ccc1F)I 34a_100009958187_100000210210 [0,2,0,0,0,0|2,0,0]=4 24079 B13R1.656 CCCCOc1cc(ccc1F)I 7a_100009958187_100000210211 [0,2,0,0,0,0|2,0,0]=4 24080 B13R1.656 CCCCOc1cc(ccc1F)N 34a_100012017398_100000210210 [0,2,0,0,0,0|2,0,0]=4 24081 B13R1.656 CCCCOc1cc(ccc1F)N 7a_100012017398_100000210211 [0,2,0,0,0,0|2,0,0]=4 24082 B13R1.656 CCCCOc1cc(ccc1I)Br 34a_100012344904_100000210210 [0,2,0,0,0,0|2,0,0]=4 24083 B13R1.656 CCCCOc1cc(ccc1I)Br 7a_100012344904_100000210211 [0,2,0,0,0,0|2,0,0]=4 24084 B13R1.656 CCCCOc1cc(ccc1I)Cl 34a_100000050036_100000210210 [0,2,0,0,0,0|2,0,0]=4 24085 B13R1.656 CCCCOc1cc(ccc1I)Cl 7a_100000050036_100000210211 [0,2,0,0,0,0|2,0,0]=4 24086 B13R1.656 CCCCOc1cc(ccc1I)F 34a_100010084537_100000210210 [0,2,0,0,0,0|2,0,0]=4 24087 B13R1.656 CCCCOc1cc(ccc1I)F 7a_100010084537_100000210211 [0,2,0,0,0,0|2,0,0]=4 24088 B13R1.656 CCCCOc1cc(ccc1N)Br 34a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 24089 B13R1.656 CCCCOc1cc(ccc1N)Br 7a_100000739049_100000210211 [0,2,0,0,0,0|2,0,0]=4 24090 B13R1.656 CCCCOc1cc(ccc1N)C 34a_100000211527_100000210210 [0,2,0,0,0,0|2,0,0]=4 24091 B13R1.656 CCCCOc1cc(ccc1N)C 7a_100000211527_100000210211 [0,2,0,0,0,0|2,0,0]=4 24092 B13R1.656 CCCCOc1cc(ccc1N)Cl 34a_100000185728_100000210210 [0,2,0,0,0,0|2,0,0]=4 24093 B13R1.656 CCCCOc1cc(ccc1N)Cl 7a_100000185728_100000210211 [0,2,0,0,0,0|2,0,0]=4 24094 B13R1.656 CCCCOc1cc(ccc1N)F 34a_100000753323_100000210210 [0,2,0,0,0,0|2,0,0]=4 24095 B13R1.656 CCCCOc1cc(ccc1N)F 7a_100000753323_100000210211 [0,2,0,0,0,0|2,0,0]=4 24096 B13R1.656 CCCCOc1cc(ccc1N)I 34a_100000057187_100000210210 [0,2,0,0,0,0|2,0,0]=4 24097 B13R1.656 CCCCOc1cc(ccc1N)I 7a_100000057187_100000210211 [0,2,0,0,0,0|2,0,0]=4 24098 B13R1.656 CCCCOc1cc(ccc1N)N 34a_100025717382_100000210210 [0,2,0,0,0,0|2,0,0]=4 24099 B13R1.656 CCCCOc1cc(ccc1O)F 271570a_203496583355_200012344554 [0,2,0,0,0,0|2,0,0]=4 24100 B13R1.656 CCCCSc1cc(ccc1Br)C 62a_100000210211_100012353751 [0,2,0,0,0,0|2,0,0]=4 24101 B13R1.656 CCCCSc1cc(ccc1Br)C 62a_100012353751_100000210210 [0,2,0,0,0,0|2,0,0]=4 24102 B13R1.656 CCCCSc1cc(ccc1Br)Cl 62a_100000210211_100012339723 [0,2,0,0,0,0|2,0,0]=4 24103 B13R1.656 CCCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210210 [0,2,0,0,0,0|2,0,0]=4 24104 B13R1.656 CCCCSc1cc(ccc1Br)F 62a_100000210211_100011217576 [0,2,0,0,0,0|2,0,0]=4 24105 B13R1.656 CCCCSc1cc(ccc1Br)F 62a_100011217576_100000210210 [0,2,0,0,0,0|2,0,0]=4 24106 B13R1.656 CCCCSc1cc(ccc1Br)N 62a_100000210211_100000750459 [0,2,0,0,0,0|2,0,0]=4 24107 B13R1.656 CCCCSc1cc(ccc1Br)N 62a_100000750459_100000210210 [0,2,0,0,0,0|2,0,0]=4 24108 B13R1.656 CCCCSc1cc(ccc1Br)O 62a_100000210211_100012339312 [0,2,0,0,0,0|2,0,0]=4 24109 B13R1.656 CCCCSc1cc(ccc1Br)O 62a_100012339312_100000210210 [0,2,0,0,0,0|2,0,0]=4 24110 B13R1.656 CCCCSc1cc(ccc1C)Br 62a_100000210211_100011344865 [0,2,0,0,0,0|2,0,0]=4 24111 B13R1.656 CCCCSc1cc(ccc1C)Br 62a_100011344865_100000210210 [0,2,0,0,0,0|2,0,0]=4 24112 B13R1.656 CCCCSc1cc(ccc1C)C 62a_100000210211_100000210833 [0,2,0,0,0,0|2,0,0]=4 24113 B13R1.656 CCCCSc1cc(ccc1C)C 62a_100000210833_100000210210 [0,2,0,0,0,0|2,0,0]=4 24114 B13R1.656 CCCCSc1cc(ccc1C)Cl 62a_100000210211_100011263213 [0,2,0,0,0,0|2,0,0]=4 24115 B13R1.656 CCCCSc1cc(ccc1C)Cl 62a_100011263213_100000210210 [0,2,0,0,0,0|2,0,0]=4 24116 B13R1.656 CCCCSc1cc(ccc1C)F 62a_100000210211_100011218078 [0,2,0,0,0,0|2,0,0]=4 24117 B13R1.656 CCCCSc1cc(ccc1C)F 62a_100011218078_100000210210 [0,2,0,0,0,0|2,0,0]=4 24118 B13R1.656 CCCCSc1cc(ccc1C)N 62a_100000210211_100000736455 [0,2,0,0,0,0|2,0,0]=4 24119 B13R1.656 CCCCSc1cc(ccc1C)N 62a_100000736455_100000210210 [0,2,0,0,0,0|2,0,0]=4 24120 B13R1.656 CCCCSc1cc(ccc1C)O 62a_100000210211_100011380479 [0,2,0,0,0,0|2,0,0]=4 24121 B13R1.656 CCCCSc1cc(ccc1C)O 62a_100011380479_100000210210 [0,2,0,0,0,0|2,0,0]=4 24122 B13R1.656 CCCCSc1cc(ccc1Cl)Br 62a_100000210211_100011772130 [0,2,0,0,0,0|2,0,0]=4 24123 B13R1.656 CCCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210210 [0,2,0,0,0,0|2,0,0]=4 24124 B13R1.656 CCCCSc1cc(ccc1Cl)C 62a_100000210211_100012356289 [0,2,0,0,0,0|2,0,0]=4 24125 B13R1.656 CCCCSc1cc(ccc1Cl)C 62a_100012356289_100000210210 [0,2,0,0,0,0|2,0,0]=4 24126 B13R1.656 CCCCSc1cc(ccc1Cl)Cl 62a_100000210211_100000707729 [0,2,0,0,0,0|2,0,0]=4 24127 B13R1.656 CCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210210 [0,2,0,0,0,0|2,0,0]=4 24128 B13R1.656 CCCCSc1cc(ccc1Cl)F 62a_100000210211_100011217299 [0,2,0,0,0,0|2,0,0]=4 24129 B13R1.656 CCCCSc1cc(ccc1Cl)F 62a_100011217299_100000210210 [0,2,0,0,0,0|2,0,0]=4 24130 B13R1.656 CCCCSc1cc(ccc1Cl)N 62a_100000210211_100012360549 [0,2,0,0,0,0|2,0,0]=4 24131 B13R1.656 CCCCSc1cc(ccc1Cl)N 62a_100012360549_100000210210 [0,2,0,0,0,0|2,0,0]=4 24132 B13R1.656 CCCCSc1cc(ccc1Cl)O 62a_100000049588_100000210210 [0,2,0,0,0,0|2,0,0]=4 24133 B13R1.656 CCCCSc1cc(ccc1Cl)O 62a_100000210211_100000049588 [0,2,0,0,0,0|2,0,0]=4 24134 B13R1.656 CCCCSc1cc(ccc1F)Br 62a_100000210211_100011217312 [0,2,0,0,0,0|2,0,0]=4 24135 B13R1.656 CCCCSc1cc(ccc1F)Br 62a_100011217312_100000210210 [0,2,0,0,0,0|2,0,0]=4 24136 B13R1.656 CCCCSc1cc(ccc1F)C 62a_100000210211_100000736223 [0,2,0,0,0,0|2,0,0]=4 24137 B13R1.656 CCCCSc1cc(ccc1F)C 62a_100000736223_100000210210 [0,2,0,0,0,0|2,0,0]=4 24138 B13R1.656 CCCCSc1cc(ccc1F)Cl 62a_100000210211_100011218116 [0,2,0,0,0,0|2,0,0]=4 24139 B13R1.656 CCCCSc1cc(ccc1F)Cl 62a_100011218116_100000210210 [0,2,0,0,0,0|2,0,0]=4 24140 B13R1.656 CCCCSc1cc(ccc1F)F 62a_100000210211_100011219198 [0,2,0,0,0,0|2,0,0]=4 24141 B13R1.656 CCCCSc1cc(ccc1F)F 62a_100011219198_100000210210 [0,2,0,0,0,0|2,0,0]=4 24142 B13R1.656 CCCCSc1cc(ccc1F)N 62a_100000210211_100000760356 [0,2,0,0,0,0|2,0,0]=4 24143 B13R1.656 CCCCSc1cc(ccc1F)N 62a_100000760356_100000210210 [0,2,0,0,0,0|2,0,0]=4 24144 B13R1.656 CCCCSc1cc(ccc1F)O 62a_100000210211_100000693481 [0,2,0,0,0,0|2,0,0]=4 24145 B13R1.656 CCCCSc1cc(ccc1F)O 62a_100000693481_100000210210 [0,2,0,0,0,0|2,0,0]=4 24146 B13R1.656 CCCCSc1cc(ccc1N)Br 62a_100000187925_100000210210 [0,2,0,0,0,0|2,0,0]=4 24147 B13R1.656 CCCCSc1cc(ccc1N)Br 62a_100000210211_100000187925 [0,2,0,0,0,0|2,0,0]=4 24148 B13R1.656 CCCCSc1cc(ccc1N)C 62a_100000210211_100011356834 [0,2,0,0,0,0|2,0,0]=4 24149 B13R1.656 CCCCSc1cc(ccc1N)C 62a_100011356834_100000210210 [0,2,0,0,0,0|2,0,0]=4 24150 B13R1.656 CCCCSc1cc(ccc1N)Cl 62a_100000210211_100000761889 [0,2,0,0,0,0|2,0,0]=4 24151 B13R1.656 CCCCSc1cc(ccc1N)Cl 62a_100000761889_100000210210 [0,2,0,0,0,0|2,0,0]=4 24152 B13R1.656 CCCCSc1cc(ccc1N)F 62a_100000210211_100000760547 [0,2,0,0,0,0|2,0,0]=4 24153 B13R1.656 CCCCSc1cc(ccc1N)F 62a_100000760547_100000210210 [0,2,0,0,0,0|2,0,0]=4 24154 B13R1.656 CCCCSc1cc(ccc1N)N 62a_100000210211_100011534242 [0,2,0,0,0,0|2,0,0]=4 24155 B13R1.656 CCCCSc1cc(ccc1N)N 62a_100011534242_100000210210 [0,2,0,0,0,0|2,0,0]=4 24156 B13R1.656 CCCCSc1cc(ccc1N)O 62a_100000210211_100012001276 [0,2,0,0,0,0|2,0,0]=4 24157 B13R1.656 CCCCSc1cc(ccc1N)O 62a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 24158 B13R1.656 CCCCSc1cc(ccc1O)Br 62a_100000210211_100012355227 [0,2,0,0,0,0|2,0,0]=4 24159 B13R1.656 CCCCSc1cc(ccc1O)Br 62a_100012355227_100000210210 [0,2,0,0,0,0|2,0,0]=4 24160 B13R1.656 CCCCSc1cc(ccc1O)C 62a_100000210211_100000765521 [0,2,0,0,0,0|2,0,0]=4 24161 B13R1.656 CCCCSc1cc(ccc1O)C 62a_100000765521_100000210210 [0,2,0,0,0,0|2,0,0]=4 24162 B13R1.656 CCCCSc1cc(ccc1O)Cl 62a_100000210211_100011356953 [0,2,0,0,0,0|2,0,0]=4 24163 B13R1.656 CCCCSc1cc(ccc1O)Cl 62a_100011356953_100000210210 [0,2,0,0,0,0|2,0,0]=4 24164 B13R1.656 CCCCSc1cc(ccc1O)F 62a_100000210211_100000211999 [0,2,0,0,0,0|2,0,0]=4 24165 B13R1.656 CCCCSc1cc(ccc1O)F 62a_100000211999_100000210210 [0,2,0,0,0,0|2,0,0]=4 24166 B13R1.656 CCCCSc1cc(ccc1O)N 62a_100000210211_100011534360 [0,2,0,0,0,0|2,0,0]=4 24167 B13R1.656 CCCCSc1cc(ccc1O)N 62a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 24168 B13R1.656 CCCCSc1cc(ccc1O)O 62a_100000210211_100009813629 [0,2,0,0,0,0|2,0,0]=4 24169 B13R1.656 CCCNCc1cc(ccc1Br)Br 207a_100020643023_100011266429 [0,2,0,0,0,0|2,0,0]=4 24170 B13R1.656 CCCNCc1cc(ccc1Br)Br 270004a_100020643023_100011266429 [0,2,0,0,0,0|2,0,0]=4 24171 B13R1.656 CCCNCc1cc(ccc1Br)Br 34a_100000707832_100000210303 [0,2,0,0,0,0|2,0,0]=4 24172 B13R1.656 CCCNCc1cc(ccc1Br)C 207a_100020643023_100011551863 [0,2,0,0,0,0|2,0,0]=4 24173 B13R1.656 CCCNCc1cc(ccc1Br)C 270004a_100020643023_100011551863 [0,2,0,0,0,0|2,0,0]=4 24174 B13R1.656 CCCNCc1cc(ccc1Br)Cl 207a_100020643023_100000746314 [0,2,0,0,0,0|2,0,0]=4 24175 B13R1.656 CCCNCc1cc(ccc1Br)Cl 270004a_100020643023_100000746314 [0,2,0,0,0,0|2,0,0]=4 24176 B13R1.656 CCCNCc1cc(ccc1Br)F 207a_100020643023_100000766564 [0,2,0,0,0,0|2,0,0]=4 24177 B13R1.656 CCCNCc1cc(ccc1Br)F 2230a_100000742738_100000210303 [0,2,0,0,0,0|2,0,0]=4 24178 B13R1.656 CCCNCc1cc(ccc1Br)F 270004a_100020643023_100000766564 [0,2,0,0,0,0|2,0,0]=4 24179 B13R1.656 CCCNCc1cc(ccc1Br)F 34a_100000742738_100000210303 [0,2,0,0,0,0|2,0,0]=4 24180 B13R1.656 CCCNCc1cc(ccc1Br)I 207a_100020643023_100010185652 [0,2,0,0,0,0|2,0,0]=4 24181 B13R1.656 CCCNCc1cc(ccc1C)Br 207a_100020643023_100011361606 [0,2,0,0,0,0|2,0,0]=4 24182 B13R1.656 CCCNCc1cc(ccc1C)Br 270004a_100020643023_100011361606 [0,2,0,0,0,0|2,0,0]=4 24183 B13R1.656 CCCNCc1cc(ccc1C)C 207a_100020643023_100000211343 [0,2,0,0,0,0|2,0,0]=4 24184 B13R1.656 CCCNCc1cc(ccc1C)C 270004a_100020643023_100000211343 [0,2,0,0,0,0|2,0,0]=4 24185 B13R1.656 CCCNCc1cc(ccc1C)C 34a_100000174964_100000210303 [0,2,0,0,0,0|2,0,0]=4 24186 B13R1.656 CCCNCc1cc(ccc1C)Cl 207a_100020643023_100011551331 [0,2,0,0,0,0|2,0,0]=4 24187 B13R1.656 CCCNCc1cc(ccc1C)Cl 270004a_100020643023_100011551331 [0,2,0,0,0,0|2,0,0]=4 24188 B13R1.656 CCCNCc1cc(ccc1C)Cl 34a_100000717755_100000210303 [0,2,0,0,0,0|2,0,0]=4 24189 B13R1.656 CCCNCc1cc(ccc1C)F 207a_100020643023_100000697687 [0,2,0,0,0,0|2,0,0]=4 24190 B13R1.656 CCCNCc1cc(ccc1C)F 270004a_100020643023_100000697687 [0,2,0,0,0,0|2,0,0]=4 24191 B13R1.656 CCCNCc1cc(ccc1C)F 34a_100011217291_100000210303 [0,2,0,0,0,0|2,0,0]=4 24192 B13R1.656 CCCNCc1cc(ccc1C)O 34a_200009844824_100000210303 [0,2,0,0,0,0|2,0,0]=4 24193 B13R1.656 CCCNCc1cc(ccc1Cl)Br 207a_100020643023_100000746309 [0,2,0,0,0,0|2,0,0]=4 24194 B13R1.656 CCCNCc1cc(ccc1Cl)Br 270004a_100020643023_100000746309 [0,2,0,0,0,0|2,0,0]=4 24195 B13R1.656 CCCNCc1cc(ccc1Cl)Br 34a_100025772652_100000210303 [0,2,0,0,0,0|2,0,0]=4 24196 B13R1.656 CCCNCc1cc(ccc1Cl)C 207a_100020643023_100011551332 [0,2,0,0,0,0|2,0,0]=4 24197 B13R1.656 CCCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210303 [0,2,0,0,0,0|2,0,0]=4 24198 B13R1.656 CCCNCc1cc(ccc1Cl)C 270004a_100020643023_100011551332 [0,2,0,0,0,0|2,0,0]=4 24199 B13R1.656 CCCNCc1cc(ccc1Cl)C 34a_100025705715_100000210303 [0,2,0,0,0,0|2,0,0]=4 24200 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 207a_100020643023_100000746308 [0,2,0,0,0,0|2,0,0]=4 24201 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 270004a_100020643023_100000746308 [0,2,0,0,0,0|2,0,0]=4 24202 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000210303 [0,2,0,0,0,0|2,0,0]=4 24203 B13R1.656 CCCNCc1cc(ccc1Cl)F 207a_100020643023_100011218309 [0,2,0,0,0,0|2,0,0]=4 24204 B13R1.656 CCCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210303 [0,2,0,0,0,0|2,0,0]=4 24205 B13R1.656 CCCNCc1cc(ccc1Cl)F 270004a_100020643023_100011218309 [0,2,0,0,0,0|2,0,0]=4 24206 B13R1.656 CCCNCc1cc(ccc1Cl)F 34a_100011830483_100000210303 [0,2,0,0,0,0|2,0,0]=4 24207 B13R1.656 CCCNCc1cc(ccc1Cl)I 207a_100020643023_100010254384 [0,2,0,0,0,0|2,0,0]=4 24208 B13R1.656 CCCNCc1cc(ccc1F)Br 207a_100020643023_100000211465 [0,2,0,0,0,0|2,0,0]=4 24209 B13R1.656 CCCNCc1cc(ccc1F)Br 270004a_100020643023_100000211465 [0,2,0,0,0,0|2,0,0]=4 24210 B13R1.656 CCCNCc1cc(ccc1F)Br 34a_100009815772_100000210303 [0,2,0,0,0,0|2,0,0]=4 24211 B13R1.656 CCCNCc1cc(ccc1F)C 207a_100020643023_100000756917 [0,2,0,0,0,0|2,0,0]=4 24212 B13R1.656 CCCNCc1cc(ccc1F)C 270004a_100020643023_100000756917 [0,2,0,0,0,0|2,0,0]=4 24213 B13R1.656 CCCNCc1cc(ccc1F)C 34a_100102693586_100000210303 [0,2,0,0,0,0|2,0,0]=4 24214 B13R1.656 CCCNCc1cc(ccc1F)Cl 207a_100020643023_100000745245 [0,2,0,0,0,0|2,0,0]=4 24215 B13R1.656 CCCNCc1cc(ccc1F)Cl 270004a_100020643023_100000745245 [0,2,0,0,0,0|2,0,0]=4 24216 B13R1.656 CCCNCc1cc(ccc1F)Cl 34a_100011211646_100000210303 [0,2,0,0,0,0|2,0,0]=4 24217 B13R1.656 CCCNCc1cc(ccc1F)F 207a_100020643023_100000740046 [0,2,0,0,0,0|2,0,0]=4 24218 B13R1.656 CCCNCc1cc(ccc1F)F 270004a_100020643023_100000740046 [0,2,0,0,0,0|2,0,0]=4 24219 B13R1.656 CCCNCc1cc(ccc1F)F 34a_100000752317_100000210303 [0,2,0,0,0,0|2,0,0]=4 24220 B13R1.656 CCCNCc1cc(ccc1F)I 207a_100020643023_100000050626 [0,2,0,0,0,0|2,0,0]=4 24221 B13R1.656 CCCNCc1cc(ccc1I)Br 207a_100020643023_100010185651 [0,2,0,0,0,0|2,0,0]=4 24222 B13R1.656 CCCNCc1cc(ccc1I)Br 270004a_100020643023_100010185651 [0,2,0,0,0,0|2,0,0]=4 24223 B13R1.656 CCCNCc1cc(ccc1I)C 207a_100020643023_100010150105 [0,2,0,0,0,0|2,0,0]=4 24224 B13R1.656 CCCNCc1cc(ccc1I)C 270004a_100020643023_100010150105 [0,2,0,0,0,0|2,0,0]=4 24225 B13R1.656 CCCNCc1cc(ccc1I)Cl 207a_100020643023_100010254386 [0,2,0,0,0,0|2,0,0]=4 24226 B13R1.656 CCCNCc1cc(ccc1I)Cl 270004a_100020643023_100010254386 [0,2,0,0,0,0|2,0,0]=4 24227 B13R1.656 CCCNCc1cc(ccc1I)F 207a_100020643023_100010186294 [0,2,0,0,0,0|2,0,0]=4 24228 B13R1.656 CCCNCc1cc(ccc1I)F 270004a_100020643023_100010186294 [0,2,0,0,0,0|2,0,0]=4 24229 B13R1.656 CCCNCc1cc(ccc1O)Br 34a_100000730032_100000210303 [0,2,0,0,0,0|2,0,0]=4 24230 B13R1.656 CCCNCc1cc(ccc1O)Cl 34a_100000238540_100000210303 [0,2,0,0,0,0|2,0,0]=4 24231 B13R1.656 CCCOCc1cc(ccc1Br)Br 34a_100000210258_100011982794 [0,2,0,0,0,0|2,0,0]=4 24232 B13R1.656 CCCOCc1cc(ccc1Br)Br 34a_100011266457_100000210303 [0,2,0,0,0,0|2,0,0]=4 24233 B13R1.656 CCCOCc1cc(ccc1Br)Br 7a_100011266457_100000210303 [0,2,0,0,0,0|2,0,0]=4 24234 B13R1.656 CCCOCc1cc(ccc1Br)C 34a_100012361352_100000210303 [0,2,0,0,0,0|2,0,0]=4 24235 B13R1.656 CCCOCc1cc(ccc1Br)C 7a_100012361352_100000210303 [0,2,0,0,0,0|2,0,0]=4 24236 B13R1.656 CCCOCc1cc(ccc1Br)Cl 34a_100000210258_100000733903 [0,2,0,0,0,0|2,0,0]=4 24237 B13R1.656 CCCOCc1cc(ccc1Br)Cl 34a_100012355668_100000210303 [0,2,0,0,0,0|2,0,0]=4 24238 B13R1.656 CCCOCc1cc(ccc1Br)Cl 7a_100012355668_100000210303 [0,2,0,0,0,0|2,0,0]=4 24239 B13R1.656 CCCOCc1cc(ccc1Br)F 34a_100000210258_100000736370 [0,2,0,0,0,0|2,0,0]=4 24240 B13R1.656 CCCOCc1cc(ccc1Br)F 34a_100011217561_100000210303 [0,2,0,0,0,0|2,0,0]=4 24241 B13R1.656 CCCOCc1cc(ccc1Br)F 7a_100011217561_100000210303 [0,2,0,0,0,0|2,0,0]=4 24242 B13R1.656 CCCOCc1cc(ccc1Br)I 34a_100000210258_100012355412 [0,2,0,0,0,0|2,0,0]=4 24243 B13R1.656 CCCOCc1cc(ccc1Br)I 7a_100012359683_100000210303 [0,2,0,0,0,0|2,0,0]=4 24244 B13R1.656 CCCOCc1cc(ccc1Br)N 34a_100012347228_100000210303 [0,2,0,0,0,0|2,0,0]=4 24245 B13R1.656 CCCOCc1cc(ccc1C)Br 34a_100000700630_100000210303 [0,2,0,0,0,0|2,0,0]=4 24246 B13R1.656 CCCOCc1cc(ccc1C)Br 7a_100000700630_100000210303 [0,2,0,0,0,0|2,0,0]=4 24247 B13R1.656 CCCOCc1cc(ccc1C)C 34a_100000210258_100000184699 [0,2,0,0,0,0|2,0,0]=4 24248 B13R1.656 CCCOCc1cc(ccc1C)C 34a_200011215349_100000210303 [0,2,0,0,0,0|2,0,0]=4 24249 B13R1.656 CCCOCc1cc(ccc1C)C 7a_200011215349_100000210303 [0,2,0,0,0,0|2,0,0]=4 24250 B13R1.656 CCCOCc1cc(ccc1C)Cl 34a_100000210258_100012186985 [0,2,0,0,0,0|2,0,0]=4 24251 B13R1.656 CCCOCc1cc(ccc1C)Cl 34a_100012002407_100000210303 [0,2,0,0,0,0|2,0,0]=4 24252 B13R1.656 CCCOCc1cc(ccc1C)Cl 7a_100012002407_100000210303 [0,2,0,0,0,0|2,0,0]=4 24253 B13R1.656 CCCOCc1cc(ccc1C)F 34a_100000210258_100000709795 [0,2,0,0,0,0|2,0,0]=4 24254 B13R1.656 CCCOCc1cc(ccc1C)F 34a_100011219218_100000210303 [0,2,0,0,0,0|2,0,0]=4 24255 B13R1.656 CCCOCc1cc(ccc1C)F 7a_100011219218_100000210303 [0,2,0,0,0,0|2,0,0]=4 24256 B13R1.656 CCCOCc1cc(ccc1C)I 34a_100010150140_100000210303 [0,2,0,0,0,0|2,0,0]=4 24257 B13R1.656 CCCOCc1cc(ccc1C)I 7a_100010150140_100000210303 [0,2,0,0,0,0|2,0,0]=4 24258 B13R1.656 CCCOCc1cc(ccc1Cl)Br 34a_100000210258_100000763347 [0,2,0,0,0,0|2,0,0]=4 24259 B13R1.656 CCCOCc1cc(ccc1Cl)Br 34a_100011215897_100000210303 [0,2,0,0,0,0|2,0,0]=4 24260 B13R1.656 CCCOCc1cc(ccc1Cl)Br 7a_100011215897_100000210303 [0,2,0,0,0,0|2,0,0]=4 24261 B13R1.656 CCCOCc1cc(ccc1Cl)C 34a_100000210258_100009871730 [0,2,0,0,0,0|2,0,0]=4 24262 B13R1.656 CCCOCc1cc(ccc1Cl)C 34a_100009878994_100000210303 [0,2,0,0,0,0|2,0,0]=4 24263 B13R1.656 CCCOCc1cc(ccc1Cl)C 7a_100009878994_100000210303 [0,2,0,0,0,0|2,0,0]=4 24264 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 34a_100000210258_100000756322 [0,2,0,0,0,0|2,0,0]=4 24265 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000210303 [0,2,0,0,0,0|2,0,0]=4 24266 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000210303 [0,2,0,0,0,0|2,0,0]=4 24267 B13R1.656 CCCOCc1cc(ccc1Cl)F 34a_100000210258_100000709952 [0,2,0,0,0,0|2,0,0]=4 24268 B13R1.656 CCCOCc1cc(ccc1Cl)F 34a_100011218361_100000210303 [0,2,0,0,0,0|2,0,0]=4 24269 B13R1.656 CCCOCc1cc(ccc1Cl)F 7a_100011218361_100000210303 [0,2,0,0,0,0|2,0,0]=4 24270 B13R1.656 CCCOCc1cc(ccc1Cl)I 34a_100000210258_100010188191 [0,2,0,0,0,0|2,0,0]=4 24271 B13R1.656 CCCOCc1cc(ccc1Cl)I 34a_100010128486_100000210303 [0,2,0,0,0,0|2,0,0]=4 24272 B13R1.656 CCCOCc1cc(ccc1Cl)I 7a_100010128486_100000210303 [0,2,0,0,0,0|2,0,0]=4 24273 B13R1.656 CCCOCc1cc(ccc1Cl)N 34a_100011273577_100000210303 [0,2,0,0,0,0|2,0,0]=4 24274 B13R1.656 CCCOCc1cc(ccc1F)Br 34a_100000210258_100000736399 [0,2,0,0,0,0|2,0,0]=4 24275 B13R1.656 CCCOCc1cc(ccc1F)Br 34a_100000246282_100000210303 [0,2,0,0,0,0|2,0,0]=4 24276 B13R1.656 CCCOCc1cc(ccc1F)Br 7a_100000246282_100000210303 [0,2,0,0,0,0|2,0,0]=4 24277 B13R1.656 CCCOCc1cc(ccc1F)C 34a_100000210258_100011260760 [0,2,0,0,0,0|2,0,0]=4 24278 B13R1.656 CCCOCc1cc(ccc1F)C 34a_100011692775_100000210303 [0,2,0,0,0,0|2,0,0]=4 24279 B13R1.656 CCCOCc1cc(ccc1F)C 7a_100011692775_100000210303 [0,2,0,0,0,0|2,0,0]=4 24280 B13R1.656 CCCOCc1cc(ccc1F)Cl 34a_100000210258_100000716957 [0,2,0,0,0,0|2,0,0]=4 24281 B13R1.656 CCCOCc1cc(ccc1F)Cl 34a_100011217248_100000210303 [0,2,0,0,0,0|2,0,0]=4 24282 B13R1.656 CCCOCc1cc(ccc1F)Cl 7a_100011217248_100000210303 [0,2,0,0,0,0|2,0,0]=4 24283 B13R1.656 CCCOCc1cc(ccc1F)F 34a_100000210258_100000741279 [0,2,0,0,0,0|2,0,0]=4 24284 B13R1.656 CCCOCc1cc(ccc1F)F 34a_100011217725_100000210303 [0,2,0,0,0,0|2,0,0]=4 24285 B13R1.656 CCCOCc1cc(ccc1F)F 7a_100011217725_100000210303 [0,2,0,0,0,0|2,0,0]=4 24286 B13R1.656 CCCOCc1cc(ccc1F)I 34a_100000049604_100000210303 [0,2,0,0,0,0|2,0,0]=4 24287 B13R1.656 CCCOCc1cc(ccc1F)I 34a_100000210258_200010149601 [0,2,0,0,0,0|2,0,0]=4 24288 B13R1.656 CCCOCc1cc(ccc1F)I 7a_100000049604_100000210303 [0,2,0,0,0,0|2,0,0]=4 24289 B13R1.656 CCCOCc1cc(ccc1F)N 34a_100011218011_100000210303 [0,2,0,0,0,0|2,0,0]=4 24290 B13R1.656 CCCOCc1cc(ccc1I)Br 34a_100000210258_100012362523 [0,2,0,0,0,0|2,0,0]=4 24291 B13R1.656 CCCOCc1cc(ccc1I)Br 34a_100011356890_100000210303 [0,2,0,0,0,0|2,0,0]=4 24292 B13R1.656 CCCOCc1cc(ccc1I)Br 7a_100011356890_100000210303 [0,2,0,0,0,0|2,0,0]=4 24293 B13R1.656 CCCOCc1cc(ccc1I)Cl 34a_100000210258_100012348826 [0,2,0,0,0,0|2,0,0]=4 24294 B13R1.656 CCCOCc1cc(ccc1I)F 34a_100000210258_100010149606 [0,2,0,0,0,0|2,0,0]=4 24295 B13R1.656 CCCOCc1cc(ccc1I)F 34a_100010255287_100000210303 [0,2,0,0,0,0|2,0,0]=4 24296 B13R1.656 CCCOCc1cc(ccc1I)F 7a_100010255287_100000210303 [0,2,0,0,0,0|2,0,0]=4 24297 B13R1.656 CCCOCc1cc(ccc1N)Br 34a_100012353972_100000210303 [0,2,0,0,0,0|2,0,0]=4 24298 B13R1.656 CCCOCc1cc(ccc1N)Br 7a_100012353972_100000210303 [0,2,0,0,0,0|2,0,0]=4 24299 B13R1.656 CCCOCc1cc(ccc1N)C 34a_100011215565_100000210303 [0,2,0,0,0,0|2,0,0]=4 24300 B13R1.656 CCCOCc1cc(ccc1N)C 7a_100011215565_100000210303 [0,2,0,0,0,0|2,0,0]=4 24301 B13R1.656 CCCOCc1cc(ccc1N)Cl 34a_100011214999_100000210303 [0,2,0,0,0,0|2,0,0]=4 24302 B13R1.656 CCCOCc1cc(ccc1N)Cl 7a_100011214999_100000210303 [0,2,0,0,0,0|2,0,0]=4 24303 B13R1.656 CCCOCc1cc(ccc1N)F 34a_100011296978_100000210303 [0,2,0,0,0,0|2,0,0]=4 24304 B13R1.656 CCCOCc1cc(ccc1N)F 7a_100011296978_100000210303 [0,2,0,0,0,0|2,0,0]=4 24305 B13R1.656 CCCOCc1cc(ccc1O)F 34a_100000210258_100010161318 [0,2,0,0,0,0|2,0,0]=4 24306 B13R1.656 CCCSCc1cc(ccc1Br)Br 62a_100000210303_100011982794 [0,2,0,0,0,0|2,0,0]=4 24307 B13R1.656 CCCSCc1cc(ccc1Br)Br 62a_100011982794_100000210303 [0,2,0,0,0,0|2,0,0]=4 24308 B13R1.656 CCCSCc1cc(ccc1Br)Cl 62a_100000210303_100000733903 [0,2,0,0,0,0|2,0,0]=4 24309 B13R1.656 CCCSCc1cc(ccc1Br)Cl 62a_100000733903_100000210303 [0,2,0,0,0,0|2,0,0]=4 24310 B13R1.656 CCCSCc1cc(ccc1Br)F 62a_100000210303_100000736370 [0,2,0,0,0,0|2,0,0]=4 24311 B13R1.656 CCCSCc1cc(ccc1Br)F 62a_100000736370_100000210303 [0,2,0,0,0,0|2,0,0]=4 24312 B13R1.656 CCCSCc1cc(ccc1Br)I 62a_100000210303_100012355412 [0,2,0,0,0,0|2,0,0]=4 24313 B13R1.656 CCCSCc1cc(ccc1Br)I 62a_100012355412_100000210303 [0,2,0,0,0,0|2,0,0]=4 24314 B13R1.656 CCCSCc1cc(ccc1C)C 62a_100000184699_100000210303 [0,2,0,0,0,0|2,0,0]=4 24315 B13R1.656 CCCSCc1cc(ccc1C)C 62a_100000210303_100000184699 [0,2,0,0,0,0|2,0,0]=4 24316 B13R1.656 CCCSCc1cc(ccc1C)Cl 62a_100000210303_100012186985 [0,2,0,0,0,0|2,0,0]=4 24317 B13R1.656 CCCSCc1cc(ccc1C)Cl 62a_100012186985_100000210303 [0,2,0,0,0,0|2,0,0]=4 24318 B13R1.656 CCCSCc1cc(ccc1C)F 62a_100000210303_100000709795 [0,2,0,0,0,0|2,0,0]=4 24319 B13R1.656 CCCSCc1cc(ccc1C)F 62a_100000709795_100000210303 [0,2,0,0,0,0|2,0,0]=4 24320 B13R1.656 CCCSCc1cc(ccc1Cl)Br 62a_100000210303_100000763347 [0,2,0,0,0,0|2,0,0]=4 24321 B13R1.656 CCCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210303 [0,2,0,0,0,0|2,0,0]=4 24322 B13R1.656 CCCSCc1cc(ccc1Cl)C 62a_100000210303_100009871730 [0,2,0,0,0,0|2,0,0]=4 24323 B13R1.656 CCCSCc1cc(ccc1Cl)C 62a_100009871730_100000210303 [0,2,0,0,0,0|2,0,0]=4 24324 B13R1.656 CCCSCc1cc(ccc1Cl)Cl 62a_100000210303_100000756322 [0,2,0,0,0,0|2,0,0]=4 24325 B13R1.656 CCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210303 [0,2,0,0,0,0|2,0,0]=4 24326 B13R1.656 CCCSCc1cc(ccc1Cl)F 62a_100000210303_100000709952 [0,2,0,0,0,0|2,0,0]=4 24327 B13R1.656 CCCSCc1cc(ccc1Cl)F 62a_100000709952_100000210303 [0,2,0,0,0,0|2,0,0]=4 24328 B13R1.656 CCCSCc1cc(ccc1Cl)I 62a_100000210303_100010188191 [0,2,0,0,0,0|2,0,0]=4 24329 B13R1.656 CCCSCc1cc(ccc1Cl)I 62a_100010188191_100000210303 [0,2,0,0,0,0|2,0,0]=4 24330 B13R1.656 CCCSCc1cc(ccc1F)Br 62a_100000210303_100000736399 [0,2,0,0,0,0|2,0,0]=4 24331 B13R1.656 CCCSCc1cc(ccc1F)Br 62a_100000736399_100000210303 [0,2,0,0,0,0|2,0,0]=4 24332 B13R1.656 CCCSCc1cc(ccc1F)C 62a_100000210303_100011260760 [0,2,0,0,0,0|2,0,0]=4 24333 B13R1.656 CCCSCc1cc(ccc1F)C 62a_100011260760_100000210303 [0,2,0,0,0,0|2,0,0]=4 24334 B13R1.656 CCCSCc1cc(ccc1F)Cl 62a_100000210303_100000716957 [0,2,0,0,0,0|2,0,0]=4 24335 B13R1.656 CCCSCc1cc(ccc1F)Cl 62a_100000716957_100000210303 [0,2,0,0,0,0|2,0,0]=4 24336 B13R1.656 CCCSCc1cc(ccc1F)F 62a_100000210303_100000685659 [0,2,0,0,0,0|2,0,0]=4 24337 B13R1.656 CCCSCc1cc(ccc1F)F 62a_100000685659_100000210303 [0,2,0,0,0,0|2,0,0]=4 24338 B13R1.656 CCCSCc1cc(ccc1F)I 62a_100000210303_200010149601 [0,2,0,0,0,0|2,0,0]=4 24339 B13R1.656 CCCSCc1cc(ccc1F)I 62a_200010149601_100000210303 [0,2,0,0,0,0|2,0,0]=4 24340 B13R1.656 CCCSCc1cc(ccc1I)Br 62a_100000210303_100012362523 [0,2,0,0,0,0|2,0,0]=4 24341 B13R1.656 CCCSCc1cc(ccc1I)Br 62a_100012362523_100000210303 [0,2,0,0,0,0|2,0,0]=4 24342 B13R1.656 CCCSCc1cc(ccc1I)Cl 62a_100000210303_100012348826 [0,2,0,0,0,0|2,0,0]=4 24343 B13R1.656 CCCSCc1cc(ccc1I)Cl 62a_100012348826_100000210303 [0,2,0,0,0,0|2,0,0]=4 24344 B13R1.656 CCCSCc1cc(ccc1I)F 62a_100000210303_100010149606 [0,2,0,0,0,0|2,0,0]=4 24345 B13R1.656 CCCSCc1cc(ccc1I)F 62a_100010149606_100000210303 [0,2,0,0,0,0|2,0,0]=4 24346 B13R1.656 CCCSCc1cc(ccc1O)F 62a_100000210303_100010161318 [0,2,0,0,0,0|2,0,0]=4 24347 B13R1.656 CCCSCc1cc(ccc1O)F 62a_100010161318_100000210303 [0,2,0,0,0,0|2,0,0]=4 24348 B13R1.656 CCNCCc1cc(ccc1C)C 2230a_200011485678_100000210202 [0,2,0,0,0,0|2,0,0]=4 24349 B13R1.656 CCNCCc1cc(ccc1C)C 34a_200011485678_100000210202 [0,2,0,0,0,0|2,0,0]=4 24350 B13R1.656 CCNCCc1cc(ccc1Cl)Cl 2230a_100000705354_100000210202 [0,2,0,0,0,0|2,0,0]=4 24351 B13R1.656 CCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100000210202 [0,2,0,0,0,0|2,0,0]=4 24352 B13R1.656 CCNCCc1cc(ccc1F)Cl 2230a_200011997525_100000210202 [0,2,0,0,0,0|2,0,0]=4 24353 B13R1.656 CCNCCc1cc(ccc1F)Cl 34a_200011997525_100000210202 [0,2,0,0,0,0|2,0,0]=4 24354 B13R1.656 CCNCCc1cc(ccc1F)F 2230a_100015525214_100011755056 [0,2,0,0,0,0|2,0,0]=4 24355 B13R1.656 CCOCCc1cc(ccc1Br)Cl 34a_100012426913_100000210202 [0,2,0,0,0,0|2,0,0]=4 24356 B13R1.656 CCOCCc1cc(ccc1Br)Cl 7a_100012426913_100000210202 [0,2,0,0,0,0|2,0,0]=4 24357 B13R1.656 CCOCCc1cc(ccc1C)C 34a_100011694955_100000210202 [0,2,0,0,0,0|2,0,0]=4 24358 B13R1.656 CCOCCc1cc(ccc1C)C 7a_100011694955_100000210202 [0,2,0,0,0,0|2,0,0]=4 24359 B13R1.656 CCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100000210202 [0,2,0,0,0,0|2,0,0]=4 24360 B13R1.656 CCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100000210202 [0,2,0,0,0,0|2,0,0]=4 24361 B13R1.656 CCOCCc1cc(ccc1F)F 34a_100011755048_100000210202 [0,2,0,0,0,0|2,0,0]=4 24362 B13R1.656 CCOCCc1cc(ccc1F)F 34a_100121572206_100011755056 [0,2,0,0,0,0|2,0,0]=4 24363 B13R1.656 CCOCCc1cc(ccc1F)F 7a_100011755048_100000210202 [0,2,0,0,0,0|2,0,0]=4 24364 B13R1.656 CCSCCc1cc(ccc1F)F 62a_100000210202_100011755056 [0,2,0,0,0,0|2,0,0]=4 24365 B13R1.656 CCSCCc1cc(ccc1F)F 62a_100011755056_100000210202 [0,2,0,0,0,0|2,0,0]=4 24366 B13R1.656 Cc1ccc(c(c1)CCNCF)C 34a_200011485678_100015361967 [0,2,0,0,0,0|2,0,0]=4 24367 B13R1.656 Cc1ccc(c(c1)CCOCF)C 34a_100011694955_100015361967 [0,2,0,0,0,0|2,0,0]=4 24368 B13R1.656 Cc1ccc(c(c1)CCOCF)C 7a_100011694955_100015361967 [0,2,0,0,0,0|2,0,0]=4 24369 B13R1.656 Cc1ccc(c(c1)CNCCF)C 34a_100000174964_100011217306 [0,2,0,0,0,0|2,0,0]=4 24370 B13R1.656 Cc1ccc(c(c1)CNCCF)C 34a_100000724931_100000184699 [0,2,0,0,0,0|2,0,0]=4 24371 B13R1.656 Cc1ccc(c(c1)CNCCF)Cl 2230a_100025705715_100011217306 [0,2,0,0,0,0|2,0,0]=4 24372 B13R1.656 Cc1ccc(c(c1)CNCCF)Cl 34a_100000724931_100009871730 [0,2,0,0,0,0|2,0,0]=4 24373 B13R1.656 Cc1ccc(c(c1)CNCCF)Cl 34a_100025705715_100011217306 [0,2,0,0,0,0|2,0,0]=4 24374 B13R1.656 Cc1ccc(c(c1)CNCCF)F 34a_100000724931_100011260760 [0,2,0,0,0,0|2,0,0]=4 24375 B13R1.656 Cc1ccc(c(c1)CNCCF)F 34a_100102693586_100011217306 [0,2,0,0,0,0|2,0,0]=4 24376 B13R1.656 Cc1ccc(c(c1)CNCCO)Br 207a_100000210304_100011551863 [0,2,0,0,0,0|2,0,0]=4 24377 B13R1.656 Cc1ccc(c(c1)CNCCO)Br 270004a_100000210304_100011551863 [0,2,0,0,0,0|2,0,0]=4 24378 B13R1.656 Cc1ccc(c(c1)CNCCO)C 207a_100000210304_100000211343 [0,2,0,0,0,0|2,0,0]=4 24379 B13R1.656 Cc1ccc(c(c1)CNCCO)C 2230a_100016997473_100000184699 [0,2,0,0,0,0|2,0,0]=4 24380 B13R1.656 Cc1ccc(c(c1)CNCCO)C 270004a_100000210304_100000211343 [0,2,0,0,0,0|2,0,0]=4 24381 B13R1.656 Cc1ccc(c(c1)CNCCO)C 34a_100000174964_100000211926 [0,2,0,0,0,0|2,0,0]=4 24382 B13R1.656 Cc1ccc(c(c1)CNCCO)C 34a_100016990907_100000184699 [0,2,0,0,0,0|2,0,0]=4 24383 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 207a_100000210304_100011551332 [0,2,0,0,0,0|2,0,0]=4 24384 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 2230a_100016997473_100009871730 [0,2,0,0,0,0|2,0,0]=4 24385 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 2230a_100025705715_100000211926 [0,2,0,0,0,0|2,0,0]=4 24386 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 270004a_100000210304_100011551332 [0,2,0,0,0,0|2,0,0]=4 24387 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 34a_100016990907_100009871730 [0,2,0,0,0,0|2,0,0]=4 24388 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 34a_100025705715_100000211926 [0,2,0,0,0,0|2,0,0]=4 24389 B13R1.656 Cc1ccc(c(c1)CNCCO)F 207a_100000210304_100000756917 [0,2,0,0,0,0|2,0,0]=4 24390 B13R1.656 Cc1ccc(c(c1)CNCCO)F 2230a_100016997473_100011260760 [0,2,0,0,0,0|2,0,0]=4 24391 B13R1.656 Cc1ccc(c(c1)CNCCO)F 270004a_100000210304_100000756917 [0,2,0,0,0,0|2,0,0]=4 24392 B13R1.656 Cc1ccc(c(c1)CNCCO)F 34a_100016990907_100011260760 [0,2,0,0,0,0|2,0,0]=4 24393 B13R1.656 Cc1ccc(c(c1)CNCCO)F 34a_100102693586_100000211926 [0,2,0,0,0,0|2,0,0]=4 24394 B13R1.656 Cc1ccc(c(c1)CNCCO)I 207a_100000210304_100010150105 [0,2,0,0,0,0|2,0,0]=4 24395 B13R1.656 Cc1ccc(c(c1)CNCCO)I 270004a_100000210304_100010150105 [0,2,0,0,0,0|2,0,0]=4 24396 B13R1.656 Cc1ccc(c(c1)COCCBr)C 34a_100000211926_100000184699 [0,2,0,0,0,0|2,0,0]=4 24397 B13R1.656 Cc1ccc(c(c1)COCCBr)Cl 34a_100000211926_100009871730 [0,2,0,0,0,0|2,0,0]=4 24398 B13R1.656 Cc1ccc(c(c1)COCCBr)F 34a_100000211926_100011260760 [0,2,0,0,0,0|2,0,0]=4 24399 B13R1.656 Cc1ccc(c(c1)COCCF)Br 34a_100012361352_100011217306 [0,2,0,0,0,0|2,0,0]=4 24400 B13R1.656 Cc1ccc(c(c1)COCCF)Br 7a_100012361352_100011217306 [0,2,0,0,0,0|2,0,0]=4 24401 B13R1.656 Cc1ccc(c(c1)COCCF)C 34a_200011215349_100011217306 [0,2,0,0,0,0|2,0,0]=4 24402 B13R1.656 Cc1ccc(c(c1)COCCF)C 7a_200011215349_100011217306 [0,2,0,0,0,0|2,0,0]=4 24403 B13R1.656 Cc1ccc(c(c1)COCCF)Cl 34a_100009878994_100011217306 [0,2,0,0,0,0|2,0,0]=4 24404 B13R1.656 Cc1ccc(c(c1)COCCF)Cl 7a_100009878994_100011217306 [0,2,0,0,0,0|2,0,0]=4 24405 B13R1.656 Cc1ccc(c(c1)COCCF)F 34a_100011692775_100011217306 [0,2,0,0,0,0|2,0,0]=4 24406 B13R1.656 Cc1ccc(c(c1)COCCF)F 7a_100011692775_100011217306 [0,2,0,0,0,0|2,0,0]=4 24407 B13R1.656 Cc1ccc(c(c1)COCCF)N 34a_100011215565_100011217306 [0,2,0,0,0,0|2,0,0]=4 24408 B13R1.656 Cc1ccc(c(c1)COCCF)N 7a_100011215565_100011217306 [0,2,0,0,0,0|2,0,0]=4 24409 B13R1.656 Cc1ccc(c(c1)COCCN)C 34a_100000210304_100000184699 [0,2,0,0,0,0|1,0,0]=3 24410 B13R1.656 Cc1ccc(c(c1)COCCN)Cl 34a_100000210304_100009871730 [0,2,0,0,0,0|1,0,0]=3 24411 B13R1.656 Cc1ccc(c(c1)COCCN)F 34a_100000210304_100011260760 [0,2,0,0,0,0|1,0,0]=3 24412 B13R1.656 Cc1ccc(c(c1)COCCO)Br 34a_100012361352_100000211926 [0,2,0,0,0,0|2,0,0]=4 24413 B13R1.656 Cc1ccc(c(c1)COCCO)Br 7a_100012361352_100000211926 [0,2,0,0,0,0|2,0,0]=4 24414 B13R1.656 Cc1ccc(c(c1)COCCO)C 34a_200011215349_100000211926 [0,2,0,0,0,0|2,0,0]=4 24415 B13R1.656 Cc1ccc(c(c1)COCCO)C 7a_200011215349_100000211926 [0,2,0,0,0,0|2,0,0]=4 24416 B13R1.656 Cc1ccc(c(c1)COCCO)Cl 34a_100009878994_100000211926 [0,2,0,0,0,0|2,0,0]=4 24417 B13R1.656 Cc1ccc(c(c1)COCCO)Cl 7a_100009878994_100000211926 [0,2,0,0,0,0|2,0,0]=4 24418 B13R1.656 Cc1ccc(c(c1)COCCO)F 34a_100011692775_100000211926 [0,2,0,0,0,0|2,0,0]=4 24419 B13R1.656 Cc1ccc(c(c1)COCCO)F 7a_100011692775_100000211926 [0,2,0,0,0,0|2,0,0]=4 24420 B13R1.656 Cc1ccc(c(c1)COCCO)N 34a_100011215565_100000211926 [0,2,0,0,0,0|2,0,0]=4 24421 B13R1.656 Cc1ccc(c(c1)COCCO)N 7a_100011215565_100000211926 [0,2,0,0,0,0|2,0,0]=4 24422 B13R1.656 Cc1ccc(c(c1)CSCCF)C 62a_100000184699_100011217306 [0,2,0,0,0,0|2,0,0]=4 24423 B13R1.656 Cc1ccc(c(c1)CSCCF)C 62a_100011217306_100000184699 [0,2,0,0,0,0|2,0,0]=4 24424 B13R1.656 Cc1ccc(c(c1)CSCCF)Cl 62a_100009871730_100011217306 [0,2,0,0,0,0|2,0,0]=4 24425 B13R1.656 Cc1ccc(c(c1)CSCCF)Cl 62a_100011217306_100009871730 [0,2,0,0,0,0|2,0,0]=4 24426 B13R1.656 Cc1ccc(c(c1)CSCCF)F 62a_100011217306_100011260760 [0,2,0,0,0,0|2,0,0]=4 24427 B13R1.656 Cc1ccc(c(c1)CSCCF)F 62a_100011260760_100011217306 [0,2,0,0,0,0|2,0,0]=4 24428 B13R1.656 Cc1ccc(c(c1)CSCCO)C 62a_100000184699_100000211926 [0,2,0,0,0,0|2,0,0]=4 24429 B13R1.656 Cc1ccc(c(c1)CSCCO)C 62a_100000211926_100000184699 [0,2,0,0,0,0|2,0,0]=4 24430 B13R1.656 Cc1ccc(c(c1)CSCCO)Cl 62a_100000211926_100009871730 [0,2,0,0,0,0|2,0,0]=4 24431 B13R1.656 Cc1ccc(c(c1)CSCCO)Cl 62a_100009871730_100000211926 [0,2,0,0,0,0|2,0,0]=4 24432 B13R1.656 Cc1ccc(c(c1)CSCCO)F 62a_100000211926_100011260760 [0,2,0,0,0,0|2,0,0]=4 24433 B13R1.656 Cc1ccc(c(c1)CSCCO)F 62a_100011260760_100000211926 [0,2,0,0,0,0|2,0,0]=4 24434 B13R1.656 Cc1ccc(c(c1)NCCCF)Br 34a_100000745044_100011934791 [0,2,0,0,0,0|2,0,0]=4 24435 B13R1.656 Cc1ccc(c(c1)NCCCF)C 2230a_100000185781_100011934791 [0,2,0,0,0,0|2,0,0]=4 24436 B13R1.656 Cc1ccc(c(c1)NCCCF)C 34a_100000185781_100011934791 [0,2,0,0,0,0|2,0,0]=4 24437 B13R1.656 Cc1ccc(c(c1)NCCCF)C 7a_100000185781_100011934791 [0,2,0,0,0,0|2,0,0]=4 24438 B13R1.656 Cc1ccc(c(c1)NCCCF)Cl 34a_100011215360_100011934791 [0,2,0,0,0,0|2,0,0]=4 24439 B13R1.656 Cc1ccc(c(c1)NCCCF)F 34a_100000211285_100011934791 [0,2,0,0,0,0|2,0,0]=4 24440 B13R1.656 Cc1ccc(c(c1)NCCCF)I 34a_100011216686_100011934791 [0,2,0,0,0,0|2,0,0]=4 24441 B13R1.656 Cc1ccc(c(c1)NCCCF)O 34a_100011215204_100011934791 [0,2,0,0,0,0|2,0,0]=4 24442 B13R1.656 Cc1ccc(c(c1)NCCCO)Br 34a_100000745044_100000230001 [0,2,0,0,0,0|2,0,0]=4 24443 B13R1.656 Cc1ccc(c(c1)NCCCO)C 2230a_100000185781_100000230001 [0,2,0,0,0,0|2,0,0]=4 24444 B13R1.656 Cc1ccc(c(c1)NCCCO)C 34a_100000185781_100000230001 [0,2,0,0,0,0|2,0,0]=4 24445 B13R1.656 Cc1ccc(c(c1)NCCCO)C 7a_100000185781_100011215043 [0,2,0,0,0,0|2,0,0]=4 24446 B13R1.656 Cc1ccc(c(c1)NCCCO)Cl 34a_100011215360_100000230001 [0,2,0,0,0,0|2,0,0]=4 24447 B13R1.656 Cc1ccc(c(c1)NCCCO)F 34a_100000211285_100000230001 [0,2,0,0,0,0|2,0,0]=4 24448 B13R1.656 Cc1ccc(c(c1)NCCCO)I 34a_100011216686_100000230001 [0,2,0,0,0,0|2,0,0]=4 24449 B13R1.656 Cc1ccc(c(c1)NCCCO)O 34a_100011215204_100000230001 [0,2,0,0,0,0|2,0,0]=4 24450 B13R1.656 Cc1ccc(c(c1)OCCCF)Br 34a_100012002257_100011934791 [0,2,0,0,0,0|2,0,0]=4 24451 B13R1.656 Cc1ccc(c(c1)OCCCF)Br 7a_100012002257_100011934791 [0,2,0,0,0,0|2,0,0]=4 24452 B13R1.656 Cc1ccc(c(c1)OCCCF)C 34a_100000210931_100011934791 [0,2,0,0,0,0|2,0,0]=4 24453 B13R1.656 Cc1ccc(c(c1)OCCCF)C 7a_100000210931_100011934791 [0,2,0,0,0,0|2,0,0]=4 24454 B13R1.656 Cc1ccc(c(c1)OCCCF)Cl 34a_100000211493_100011934791 [0,2,0,0,0,0|2,0,0]=4 24455 B13R1.656 Cc1ccc(c(c1)OCCCF)Cl 7a_100000211493_100011934791 [0,2,0,0,0,0|2,0,0]=4 24456 B13R1.656 Cc1ccc(c(c1)OCCCF)F 34a_100000759540_100011934791 [0,2,0,0,0,0|2,0,0]=4 24457 B13R1.656 Cc1ccc(c(c1)OCCCF)F 7a_100000759540_100011934791 [0,2,0,0,0,0|2,0,0]=4 24458 B13R1.656 Cc1ccc(c(c1)OCCCF)N 34a_100000211527_100011934791 [0,2,0,0,0,0|2,0,0]=4 24459 B13R1.656 Cc1ccc(c(c1)OCCCF)N 7a_100000211527_100011934791 [0,2,0,0,0,0|2,0,0]=4 24460 B13R1.656 Cc1ccc(c(c1)OCCCO)Br 34a_100012002257_100000230001 [0,2,0,0,0,0|2,0,0]=4 24461 B13R1.656 Cc1ccc(c(c1)OCCCO)Br 7a_100012002257_100011215043 [0,2,0,0,0,0|2,0,0]=4 24462 B13R1.656 Cc1ccc(c(c1)OCCCO)C 34a_100000210931_100000230001 [0,2,0,0,0,0|2,0,0]=4 24463 B13R1.656 Cc1ccc(c(c1)OCCCO)C 7a_100000210931_100011215043 [0,2,0,0,0,0|2,0,0]=4 24464 B13R1.656 Cc1ccc(c(c1)OCCCO)Cl 34a_100000211493_100000230001 [0,2,0,0,0,0|2,0,0]=4 24465 B13R1.656 Cc1ccc(c(c1)OCCCO)Cl 7a_100000211493_100011215043 [0,2,0,0,0,0|2,0,0]=4 24466 B13R1.656 Cc1ccc(c(c1)OCCCO)F 34a_100000759540_100000230001 [0,2,0,0,0,0|2,0,0]=4 24467 B13R1.656 Cc1ccc(c(c1)OCCCO)F 7a_100000759540_100011215043 [0,2,0,0,0,0|2,0,0]=4 24468 B13R1.656 Cc1ccc(c(c1)OCCCO)N 34a_100000211527_100000230001 [0,2,0,0,0,0|2,0,0]=4 24469 B13R1.656 Cc1ccc(c(c1)OCCCO)N 7a_100000211527_100011215043 [0,2,0,0,0,0|2,0,0]=4 24470 B13R1.656 Cc1ccc(c(c1)SCCCF)Br 62a_100011934791_100012353751 [0,2,0,0,0,0|2,0,0]=4 24471 B13R1.656 Cc1ccc(c(c1)SCCCF)Br 62a_100012353751_100011934791 [0,2,0,0,0,0|2,0,0]=4 24472 B13R1.656 Cc1ccc(c(c1)SCCCF)C 62a_100000210833_100011934791 [0,2,0,0,0,0|2,0,0]=4 24473 B13R1.656 Cc1ccc(c(c1)SCCCF)C 62a_100011934791_100000210833 [0,2,0,0,0,0|2,0,0]=4 24474 B13R1.656 Cc1ccc(c(c1)SCCCF)Cl 62a_100011934791_100012356289 [0,2,0,0,0,0|2,0,0]=4 24475 B13R1.656 Cc1ccc(c(c1)SCCCF)Cl 62a_100012356289_100011934791 [0,2,0,0,0,0|2,0,0]=4 24476 B13R1.656 Cc1ccc(c(c1)SCCCF)F 62a_100000736223_100011934791 [0,2,0,0,0,0|2,0,0]=4 24477 B13R1.656 Cc1ccc(c(c1)SCCCF)F 62a_100011934791_100000736223 [0,2,0,0,0,0|2,0,0]=4 24478 B13R1.656 Cc1ccc(c(c1)SCCCF)N 62a_100011356834_100011934791 [0,2,0,0,0,0|2,0,0]=4 24479 B13R1.656 Cc1ccc(c(c1)SCCCF)N 62a_100011934791_100011356834 [0,2,0,0,0,0|2,0,0]=4 24480 B13R1.656 Cc1ccc(c(c1)SCCCF)O 62a_100000765521_100011934791 [0,2,0,0,0,0|2,0,0]=4 24481 B13R1.656 Cc1ccc(c(c1)SCCCF)O 62a_100011934791_100000765521 [0,2,0,0,0,0|2,0,0]=4 24482 B13R1.656 Cc1ccc(c(c1)SCCCO)Br 62a_100011215043_100012353751 [0,2,0,0,0,0|2,0,0]=4 24483 B13R1.656 Cc1ccc(c(c1)SCCCO)Br 62a_100012353751_100011215043 [0,2,0,0,0,0|2,0,0]=4 24484 B13R1.656 Cc1ccc(c(c1)SCCCO)C 62a_100000210833_100011215043 [0,2,0,0,0,0|2,0,0]=4 24485 B13R1.656 Cc1ccc(c(c1)SCCCO)C 62a_100011215043_100000210833 [0,2,0,0,0,0|2,0,0]=4 24486 B13R1.656 Cc1ccc(c(c1)SCCCO)Cl 62a_100011215043_100012356289 [0,2,0,0,0,0|2,0,0]=4 24487 B13R1.656 Cc1ccc(c(c1)SCCCO)Cl 62a_100012356289_100011215043 [0,2,0,0,0,0|2,0,0]=4 24488 B13R1.656 Cc1ccc(c(c1)SCCCO)F 62a_100000736223_100011215043 [0,2,0,0,0,0|2,0,0]=4 24489 B13R1.656 Cc1ccc(c(c1)SCCCO)F 62a_100011215043_100000736223 [0,2,0,0,0,0|2,0,0]=4 24490 B13R1.656 Cc1ccc(c(c1)SCCCO)N 62a_100011215043_100011356834 [0,2,0,0,0,0|2,0,0]=4 24491 B13R1.656 Cc1ccc(c(c1)SCCCO)N 62a_100011356834_100011215043 [0,2,0,0,0,0|2,0,0]=4 24492 B13R1.656 Cc1ccc(c(c1)SCCCO)O 62a_100000765521_100011215043 [0,2,0,0,0,0|2,0,0]=4 24493 B13R1.656 Cc1ccc(c(c1)SCCCO)O 62a_100011215043_100000765521 [0,2,0,0,0,0|2,0,0]=4 24494 B13R1.656 Cc1ccc(c(n1)COCCN)Cl 34a_100000210304_200009852033 [0,2,0,0,0,0|2,0,0]=4 24495 B13R1.656 Cc1ccc(c(n1)COCCN)O 34a_100000210304_100020630696 [0,2,0,0,0,0|2,0,0]=4 24496 B13R1.656 Cc1ccc(cc1CNCCF)Cl 34a_100000717755_100011217306 [0,2,0,0,0,0|2,0,0]=4 24497 B13R1.656 Cc1ccc(cc1CNCCF)Cl 34a_100000724931_100012186985 [0,2,0,0,0,0|2,0,0]=4 24498 B13R1.656 Cc1ccc(cc1CNCCF)F 34a_100000724931_100000709795 [0,2,0,0,0,0|2,0,0]=4 24499 B13R1.656 Cc1ccc(cc1CNCCF)F 34a_100011217291_100011217306 [0,2,0,0,0,0|2,0,0]=4 24500 B13R1.656 Cc1ccc(cc1CNCCF)O 34a_200009844824_100011217306 [0,2,0,0,0,0|2,0,0]=4 24501 B13R1.656 Cc1ccc(cc1CNCCO)Br 207a_100000210304_100011361606 [0,2,0,0,0,0|2,0,0]=4 24502 B13R1.656 Cc1ccc(cc1CNCCO)Br 270004a_100000210304_100011361606 [0,2,0,0,0,0|2,0,0]=4 24503 B13R1.656 Cc1ccc(cc1CNCCO)Cl 207a_100000210304_100011551331 [0,2,0,0,0,0|2,0,0]=4 24504 B13R1.656 Cc1ccc(cc1CNCCO)Cl 2230a_100016997473_100012186985 [0,2,0,0,0,0|2,0,0]=4 24505 B13R1.656 Cc1ccc(cc1CNCCO)Cl 270004a_100000210304_100011551331 [0,2,0,0,0,0|2,0,0]=4 24506 B13R1.656 Cc1ccc(cc1CNCCO)Cl 34a_100000717755_100000211926 [0,2,0,0,0,0|2,0,0]=4 24507 B13R1.656 Cc1ccc(cc1CNCCO)Cl 34a_100016990907_100012186985 [0,2,0,0,0,0|2,0,0]=4 24508 B13R1.656 Cc1ccc(cc1CNCCO)F 207a_100000210304_100000697687 [0,2,0,0,0,0|2,0,0]=4 24509 B13R1.656 Cc1ccc(cc1CNCCO)F 2230a_100016997473_100000709795 [0,2,0,0,0,0|2,0,0]=4 24510 B13R1.656 Cc1ccc(cc1CNCCO)F 270004a_100000210304_100000697687 [0,2,0,0,0,0|2,0,0]=4 24511 B13R1.656 Cc1ccc(cc1CNCCO)F 34a_100011217291_100000211926 [0,2,0,0,0,0|2,0,0]=4 24512 B13R1.656 Cc1ccc(cc1CNCCO)F 34a_100016990907_100000709795 [0,2,0,0,0,0|2,0,0]=4 24513 B13R1.656 Cc1ccc(cc1CNCCO)O 34a_200009844824_100000211926 [0,2,0,0,0,0|2,0,0]=4 24514 B13R1.656 Cc1ccc(cc1COCCBr)Cl 34a_100000211926_100012186985 [0,2,0,0,0,0|2,0,0]=4 24515 B13R1.656 Cc1ccc(cc1COCCBr)F 34a_100000211926_100000709795 [0,2,0,0,0,0|2,0,0]=4 24516 B13R1.656 Cc1ccc(cc1COCCF)Br 34a_100000700630_100011217306 [0,2,0,0,0,0|2,0,0]=4 24517 B13R1.656 Cc1ccc(cc1COCCF)Br 7a_100000700630_100011217306 [0,2,0,0,0,0|2,0,0]=4 24518 B13R1.656 Cc1ccc(cc1COCCF)Cl 34a_100012002407_100011217306 [0,2,0,0,0,0|2,0,0]=4 24519 B13R1.656 Cc1ccc(cc1COCCF)Cl 7a_100012002407_100011217306 [0,2,0,0,0,0|2,0,0]=4 24520 B13R1.656 Cc1ccc(cc1COCCF)F 34a_100011219218_100011217306 [0,2,0,0,0,0|2,0,0]=4 24521 B13R1.656 Cc1ccc(cc1COCCF)F 7a_100011219218_100011217306 [0,2,0,0,0,0|2,0,0]=4 24522 B13R1.656 Cc1ccc(cc1COCCF)I 34a_100010150140_100011217306 [0,2,0,0,0,0|2,0,0]=4 24523 B13R1.656 Cc1ccc(cc1COCCF)I 7a_100010150140_100011217306 [0,2,0,0,0,0|2,0,0]=4 24524 B13R1.656 Cc1ccc(cc1COCCN)Cl 34a_100000210304_100012186985 [0,2,0,0,0,0|1,0,0]=3 24525 B13R1.656 Cc1ccc(cc1COCCN)F 34a_100000210304_100000709795 [0,2,0,0,0,0|1,0,0]=3 24526 B13R1.656 Cc1ccc(cc1COCCO)Br 34a_100000700630_100000211926 [0,2,0,0,0,0|2,0,0]=4 24527 B13R1.656 Cc1ccc(cc1COCCO)Br 7a_100000700630_100000211926 [0,2,0,0,0,0|2,0,0]=4 24528 B13R1.656 Cc1ccc(cc1COCCO)Cl 34a_100012002407_100000211926 [0,2,0,0,0,0|2,0,0]=4 24529 B13R1.656 Cc1ccc(cc1COCCO)Cl 7a_100012002407_100000211926 [0,2,0,0,0,0|2,0,0]=4 24530 B13R1.656 Cc1ccc(cc1COCCO)F 34a_100011219218_100000211926 [0,2,0,0,0,0|2,0,0]=4 24531 B13R1.656 Cc1ccc(cc1COCCO)F 7a_100011219218_100000211926 [0,2,0,0,0,0|2,0,0]=4 24532 B13R1.656 Cc1ccc(cc1COCCO)I 34a_100010150140_100000211926 [0,2,0,0,0,0|2,0,0]=4 24533 B13R1.656 Cc1ccc(cc1COCCO)I 7a_100010150140_100000211926 [0,2,0,0,0,0|2,0,0]=4 24534 B13R1.656 Cc1ccc(cc1CSCCF)Cl 62a_100011217306_100012186985 [0,2,0,0,0,0|2,0,0]=4 24535 B13R1.656 Cc1ccc(cc1CSCCF)Cl 62a_100012186985_100011217306 [0,2,0,0,0,0|2,0,0]=4 24536 B13R1.656 Cc1ccc(cc1CSCCF)F 62a_100000709795_100011217306 [0,2,0,0,0,0|2,0,0]=4 24537 B13R1.656 Cc1ccc(cc1CSCCF)F 62a_100011217306_100000709795 [0,2,0,0,0,0|2,0,0]=4 24538 B13R1.656 Cc1ccc(cc1CSCCO)Cl 62a_100000211926_100012186985 [0,2,0,0,0,0|2,0,0]=4 24539 B13R1.656 Cc1ccc(cc1CSCCO)Cl 62a_100012186985_100000211926 [0,2,0,0,0,0|2,0,0]=4 24540 B13R1.656 Cc1ccc(cc1CSCCO)F 62a_100000211926_100000709795 [0,2,0,0,0,0|2,0,0]=4 24541 B13R1.656 Cc1ccc(cc1CSCCO)F 62a_100000709795_100000211926 [0,2,0,0,0,0|2,0,0]=4 24542 B13R1.656 Cc1ccc(cc1NCCCF)Br 34a_100000741167_100011934791 [0,2,0,0,0,0|2,0,0]=4 24543 B13R1.656 Cc1ccc(cc1NCCCF)Br 7a_100000741167_100011934791 [0,2,0,0,0,0|2,0,0]=4 24544 B13R1.656 Cc1ccc(cc1NCCCF)Cl 34a_100000211374_100011934791 [0,2,0,0,0,0|2,0,0]=4 24545 B13R1.656 Cc1ccc(cc1NCCCF)Cl 7a_100000211374_100011934791 [0,2,0,0,0,0|2,0,0]=4 24546 B13R1.656 Cc1ccc(cc1NCCCF)F 34a_100000211107_100011934791 [0,2,0,0,0,0|2,0,0]=4 24547 B13R1.656 Cc1ccc(cc1NCCCF)F 7a_100000211107_100011934791 [0,2,0,0,0,0|2,0,0]=4 24548 B13R1.656 Cc1ccc(cc1NCCCF)I 7a_100000761890_100011934791 [0,2,0,0,0,0|2,0,0]=4 24549 B13R1.656 Cc1ccc(cc1NCCCF)O 34a_100011216113_100011934791 [0,2,0,0,0,0|2,0,0]=4 24550 B13R1.656 Cc1ccc(cc1NCCCO)Br 34a_100000741167_100000230001 [0,2,0,0,0,0|2,0,0]=4 24551 B13R1.656 Cc1ccc(cc1NCCCO)Br 7a_100000741167_100011215043 [0,2,0,0,0,0|2,0,0]=4 24552 B13R1.656 Cc1ccc(cc1NCCCO)Cl 34a_100000211374_100000230001 [0,2,0,0,0,0|2,0,0]=4 24553 B13R1.656 Cc1ccc(cc1NCCCO)Cl 7a_100000211374_100011215043 [0,2,0,0,0,0|2,0,0]=4 24554 B13R1.656 Cc1ccc(cc1NCCCO)F 34a_100000211107_100000230001 [0,2,0,0,0,0|2,0,0]=4 24555 B13R1.656 Cc1ccc(cc1NCCCO)F 7a_100000211107_100011215043 [0,2,0,0,0,0|2,0,0]=4 24556 B13R1.656 Cc1ccc(cc1NCCCO)I 7a_100000761890_100011215043 [0,2,0,0,0,0|2,0,0]=4 24557 B13R1.656 Cc1ccc(cc1NCCCO)O 34a_100011216113_100000230001 [0,2,0,0,0,0|2,0,0]=4 24558 B13R1.656 Cc1ccc(cc1OCCCF)Br 34a_100000685420_100011934791 [0,2,0,0,0,0|2,0,0]=4 24559 B13R1.656 Cc1ccc(cc1OCCCF)Br 7a_100000685420_100011934791 [0,2,0,0,0,0|2,0,0]=4 24560 B13R1.656 Cc1ccc(cc1OCCCF)Cl 34a_100000756515_100011934791 [0,2,0,0,0,0|2,0,0]=4 24561 B13R1.656 Cc1ccc(cc1OCCCF)Cl 7a_100000756515_100011934791 [0,2,0,0,0,0|2,0,0]=4 24562 B13R1.656 Cc1ccc(cc1OCCCF)F 34a_100000690566_100011934791 [0,2,0,0,0,0|2,0,0]=4 24563 B13R1.656 Cc1ccc(cc1OCCCF)F 7a_100000690566_100011934791 [0,2,0,0,0,0|2,0,0]=4 24564 B13R1.656 Cc1ccc(cc1OCCCF)I 7a_100000766334_100011934791 [0,2,0,0,0,0|2,0,0]=4 24565 B13R1.656 Cc1ccc(cc1OCCCF)N 34a_100000759471_100011934791 [0,2,0,0,0,0|2,0,0]=4 24566 B13R1.656 Cc1ccc(cc1OCCCF)N 7a_100000759471_100011934791 [0,2,0,0,0,0|2,0,0]=4 24567 B13R1.656 Cc1ccc(cc1OCCCO)Br 34a_100000685420_100000230001 [0,2,0,0,0,0|2,0,0]=4 24568 B13R1.656 Cc1ccc(cc1OCCCO)Br 7a_100000685420_100011215043 [0,2,0,0,0,0|2,0,0]=4 24569 B13R1.656 Cc1ccc(cc1OCCCO)Cl 34a_100000756515_100000230001 [0,2,0,0,0,0|2,0,0]=4 24570 B13R1.656 Cc1ccc(cc1OCCCO)Cl 7a_100000756515_100011215043 [0,2,0,0,0,0|2,0,0]=4 24571 B13R1.656 Cc1ccc(cc1OCCCO)F 34a_100000690566_100000230001 [0,2,0,0,0,0|2,0,0]=4 24572 B13R1.656 Cc1ccc(cc1OCCCO)F 7a_100000690566_100011215043 [0,2,0,0,0,0|2,0,0]=4 24573 B13R1.656 Cc1ccc(cc1OCCCO)I 7a_100000766334_100011215043 [0,2,0,0,0,0|2,0,0]=4 24574 B13R1.656 Cc1ccc(cc1OCCCO)N 34a_100000759471_100000230001 [0,2,0,0,0,0|2,0,0]=4 24575 B13R1.656 Cc1ccc(cc1OCCCO)N 7a_100000759471_100011215043 [0,2,0,0,0,0|2,0,0]=4 24576 B13R1.656 Cc1ccc(cc1SCCCF)Br 62a_100011344865_100011934791 [0,2,0,0,0,0|2,0,0]=4 24577 B13R1.656 Cc1ccc(cc1SCCCF)Br 62a_100011934791_100011344865 [0,2,0,0,0,0|2,0,0]=4 24578 B13R1.656 Cc1ccc(cc1SCCCF)Cl 62a_100011263213_100011934791 [0,2,0,0,0,0|2,0,0]=4 24579 B13R1.656 Cc1ccc(cc1SCCCF)Cl 62a_100011934791_100011263213 [0,2,0,0,0,0|2,0,0]=4 24580 B13R1.656 Cc1ccc(cc1SCCCF)F 62a_100011218078_100011934791 [0,2,0,0,0,0|2,0,0]=4 24581 B13R1.656 Cc1ccc(cc1SCCCF)F 62a_100011934791_100011218078 [0,2,0,0,0,0|2,0,0]=4 24582 B13R1.656 Cc1ccc(cc1SCCCF)N 62a_100000736455_100011934791 [0,2,0,0,0,0|2,0,0]=4 24583 B13R1.656 Cc1ccc(cc1SCCCF)N 62a_100011934791_100000736455 [0,2,0,0,0,0|2,0,0]=4 24584 B13R1.656 Cc1ccc(cc1SCCCF)O 62a_100011380479_100011934791 [0,2,0,0,0,0|2,0,0]=4 24585 B13R1.656 Cc1ccc(cc1SCCCF)O 62a_100011934791_100011380479 [0,2,0,0,0,0|2,0,0]=4 24586 B13R1.656 Cc1ccc(cc1SCCCO)Br 62a_100011215043_100011344865 [0,2,0,0,0,0|2,0,0]=4 24587 B13R1.656 Cc1ccc(cc1SCCCO)Br 62a_100011344865_100011215043 [0,2,0,0,0,0|2,0,0]=4 24588 B13R1.656 Cc1ccc(cc1SCCCO)Cl 62a_100011215043_100011263213 [0,2,0,0,0,0|2,0,0]=4 24589 B13R1.656 Cc1ccc(cc1SCCCO)Cl 62a_100011263213_100011215043 [0,2,0,0,0,0|2,0,0]=4 24590 B13R1.656 Cc1ccc(cc1SCCCO)F 62a_100011215043_100011218078 [0,2,0,0,0,0|2,0,0]=4 24591 B13R1.656 Cc1ccc(cc1SCCCO)F 62a_100011218078_100011215043 [0,2,0,0,0,0|2,0,0]=4 24592 B13R1.656 Cc1ccc(cc1SCCCO)N 62a_100000736455_100011215043 [0,2,0,0,0,0|2,0,0]=4 24593 B13R1.656 Cc1ccc(cc1SCCCO)N 62a_100011215043_100000736455 [0,2,0,0,0,0|2,0,0]=4 24594 B13R1.656 Cc1ccc(cc1SCCCO)O 62a_100011215043_100011380479 [0,2,0,0,0,0|2,0,0]=4 24595 B13R1.656 Cc1ccc(cc1SCCCO)O 62a_100011380479_100011215043 [0,2,0,0,0,0|2,0,0]=4 24596 B13R1.656 Clc1ccc(c(c1)COCCBr)Br 34a_100000211926_100000733903 [0,2,0,0,0,0|2,0,0]=4 24597 B13R1.656 Clc1ccc(c(c1)COCCBr)Cl 34a_100000211926_100000756322 [0,2,0,0,0,0|2,0,0]=4 24598 B13R1.656 Clc1ccc(c(c1)COCCBr)I 34a_100000211926_100012348826 [0,2,0,0,0,0|2,0,0]=4 24599 B13R1.656 Clc1ccc(cc1COCCBr)Br 34a_100000211926_100000763347 [0,2,0,0,0,0|2,0,0]=4 24600 B13R1.656 Clc1ccc(cc1COCCBr)I 34a_100000211926_100010188191 [0,2,0,0,0,0|2,0,0]=4 24601 B13R1.656 FCCCNc1cc(ccc1Br)Br 34a_100000737762_100011934791 [0,2,0,0,0,0|2,0,0]=4 24602 B13R1.656 FCCCNc1cc(ccc1Br)Cl 34a_100000687073_100011934791 [0,2,0,0,0,0|2,0,0]=4 24603 B13R1.656 FCCCNc1cc(ccc1Br)F 34a_100000687223_100011934791 [0,2,0,0,0,0|2,0,0]=4 24604 B13R1.656 FCCCNc1cc(ccc1Cl)Br 34a_100000750497_100011934791 [0,2,0,0,0,0|2,0,0]=4 24605 B13R1.656 FCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100011934791 [0,2,0,0,0,0|2,0,0]=4 24606 B13R1.656 FCCCNc1cc(ccc1Cl)F 34a_100000751338_100011934791 [0,2,0,0,0,0|2,0,0]=4 24607 B13R1.656 FCCCNc1cc(ccc1Cl)I 34a_200000761891_100011934791 [0,2,0,0,0,0|2,0,0]=4 24608 B13R1.656 FCCCNc1cc(ccc1F)Br 34a_100000740924_100011934791 [0,2,0,0,0,0|2,0,0]=4 24609 B13R1.656 FCCCNc1cc(ccc1F)Cl 34a_100000212115_100011934791 [0,2,0,0,0,0|2,0,0]=4 24610 B13R1.656 FCCCNc1cc(ccc1F)F 34a_100000210742_100011934791 [0,2,0,0,0,0|2,0,0]=4 24611 B13R1.656 FCCCNc1cc(ccc1F)I 34a_100011464823_100011934791 [0,2,0,0,0,0|2,0,0]=4 24612 B13R1.656 FCCCNc1cc(ccc1I)Br 34a_100000743836_100011934791 [0,2,0,0,0,0|2,0,0]=4 24613 B13R1.656 FCCCNc1cc(ccc1I)Cl 34a_100000761886_100011934791 [0,2,0,0,0,0|2,0,0]=4 24614 B13R1.656 FCCCNc1cc(ccc1I)F 34a_100011218093_100011934791 [0,2,0,0,0,0|2,0,0]=4 24615 B13R1.656 FCCCOc1cc(ccc1Br)Br 34a_100011220040_100011934791 [0,2,0,0,0,0|2,0,0]=4 24616 B13R1.656 FCCCOc1cc(ccc1Br)Br 7a_100011220040_100011934791 [0,2,0,0,0,0|2,0,0]=4 24617 B13R1.656 FCCCOc1cc(ccc1Br)Cl 34a_100012339455_100011934791 [0,2,0,0,0,0|2,0,0]=4 24618 B13R1.656 FCCCOc1cc(ccc1Br)Cl 7a_100012339455_100011934791 [0,2,0,0,0,0|2,0,0]=4 24619 B13R1.656 FCCCOc1cc(ccc1Br)F 34a_100000690578_100011934791 [0,2,0,0,0,0|2,0,0]=4 24620 B13R1.656 FCCCOc1cc(ccc1Br)F 7a_100000690578_100011934791 [0,2,0,0,0,0|2,0,0]=4 24621 B13R1.656 FCCCOc1cc(ccc1Br)I 34a_100012356990_100011934791 [0,2,0,0,0,0|2,0,0]=4 24622 B13R1.656 FCCCOc1cc(ccc1Br)I 7a_100012356990_100011934791 [0,2,0,0,0,0|2,0,0]=4 24623 B13R1.656 FCCCOc1cc(ccc1Cl)Br 34a_100000738945_100011934791 [0,2,0,0,0,0|2,0,0]=4 24624 B13R1.656 FCCCOc1cc(ccc1Cl)Br 7a_100000738945_100011934791 [0,2,0,0,0,0|2,0,0]=4 24625 B13R1.656 FCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011934791 [0,2,0,0,0,0|2,0,0]=4 24626 B13R1.656 FCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011934791 [0,2,0,0,0,0|2,0,0]=4 24627 B13R1.656 FCCCOc1cc(ccc1Cl)F 34a_100000692107_100011934791 [0,2,0,0,0,0|2,0,0]=4 24628 B13R1.656 FCCCOc1cc(ccc1Cl)F 7a_100000692107_100011934791 [0,2,0,0,0,0|2,0,0]=4 24629 B13R1.656 FCCCOc1cc(ccc1Cl)I 34a_100011356854_100011934791 [0,2,0,0,0,0|2,0,0]=4 24630 B13R1.656 FCCCOc1cc(ccc1Cl)I 7a_100011356854_100011934791 [0,2,0,0,0,0|2,0,0]=4 24631 B13R1.656 FCCCOc1cc(ccc1F)Br 34a_100000686035_100011934791 [0,2,0,0,0,0|2,0,0]=4 24632 B13R1.656 FCCCOc1cc(ccc1F)Br 7a_100000686035_100011934791 [0,2,0,0,0,0|2,0,0]=4 24633 B13R1.656 FCCCOc1cc(ccc1F)Cl 34a_100000757397_100011934791 [0,2,0,0,0,0|2,0,0]=4 24634 B13R1.656 FCCCOc1cc(ccc1F)Cl 7a_100000757397_100011934791 [0,2,0,0,0,0|2,0,0]=4 24635 B13R1.656 FCCCOc1cc(ccc1F)F 34a_100000752141_100011934791 [0,2,0,0,0,0|2,0,0]=4 24636 B13R1.656 FCCCOc1cc(ccc1F)F 7a_100000752141_100011934791 [0,2,0,0,0,0|2,0,0]=4 24637 B13R1.656 FCCCOc1cc(ccc1F)I 34a_100009958187_100011934791 [0,2,0,0,0,0|2,0,0]=4 24638 B13R1.656 FCCCOc1cc(ccc1F)I 7a_100009958187_100011934791 [0,2,0,0,0,0|2,0,0]=4 24639 B13R1.656 FCCCOc1cc(ccc1I)Br 34a_100012344904_100011934791 [0,2,0,0,0,0|2,0,0]=4 24640 B13R1.656 FCCCOc1cc(ccc1I)Br 7a_100012344904_100011934791 [0,2,0,0,0,0|2,0,0]=4 24641 B13R1.656 FCCCOc1cc(ccc1I)Cl 34a_100000050036_100011934791 [0,2,0,0,0,0|2,0,0]=4 24642 B13R1.656 FCCCOc1cc(ccc1I)Cl 7a_100000050036_100011934791 [0,2,0,0,0,0|2,0,0]=4 24643 B13R1.656 FCCCOc1cc(ccc1I)F 34a_100010084537_100011934791 [0,2,0,0,0,0|2,0,0]=4 24644 B13R1.656 FCCCOc1cc(ccc1I)F 7a_100010084537_100011934791 [0,2,0,0,0,0|2,0,0]=4 24645 B13R1.656 FCCCSc1cc(ccc1Br)Br 62a_100011483371_100011934791 [0,2,0,0,0,0|2,0,0]=4 24646 B13R1.656 FCCCSc1cc(ccc1Br)Br 62a_100011934791_100011483371 [0,2,0,0,0,0|2,0,0]=4 24647 B13R1.656 FCCCSc1cc(ccc1Br)Cl 62a_100011934791_100012339723 [0,2,0,0,0,0|2,0,0]=4 24648 B13R1.656 FCCCSc1cc(ccc1Br)Cl 62a_100012339723_100011934791 [0,2,0,0,0,0|2,0,0]=4 24649 B13R1.656 FCCCSc1cc(ccc1Br)F 62a_100011217576_100011934791 [0,2,0,0,0,0|2,0,0]=4 24650 B13R1.656 FCCCSc1cc(ccc1Br)F 62a_100011934791_100011217576 [0,2,0,0,0,0|2,0,0]=4 24651 B13R1.656 FCCCSc1cc(ccc1Cl)Br 62a_100011772130_100011934791 [0,2,0,0,0,0|2,0,0]=4 24652 B13R1.656 FCCCSc1cc(ccc1Cl)Br 62a_100011934791_100011772130 [0,2,0,0,0,0|2,0,0]=4 24653 B13R1.656 FCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011934791 [0,2,0,0,0,0|2,0,0]=4 24654 B13R1.656 FCCCSc1cc(ccc1Cl)Cl 62a_100011934791_100000707729 [0,2,0,0,0,0|2,0,0]=4 24655 B13R1.656 FCCCSc1cc(ccc1Cl)F 62a_100011217299_100011934791 [0,2,0,0,0,0|2,0,0]=4 24656 B13R1.656 FCCCSc1cc(ccc1Cl)F 62a_100011934791_100011217299 [0,2,0,0,0,0|2,0,0]=4 24657 B13R1.656 FCCCSc1cc(ccc1F)Br 62a_100011217312_100011934791 [0,2,0,0,0,0|2,0,0]=4 24658 B13R1.656 FCCCSc1cc(ccc1F)Br 62a_100011934791_100011217312 [0,2,0,0,0,0|2,0,0]=4 24659 B13R1.656 FCCCSc1cc(ccc1F)Cl 62a_100011218116_100011934791 [0,2,0,0,0,0|2,0,0]=4 24660 B13R1.656 FCCCSc1cc(ccc1F)Cl 62a_100011934791_100011218116 [0,2,0,0,0,0|2,0,0]=4 24661 B13R1.656 FCCCSc1cc(ccc1F)F 62a_100011219198_100011934791 [0,2,0,0,0,0|2,0,0]=4 24662 B13R1.656 FCCCSc1cc(ccc1F)F 62a_100011934791_100011219198 [0,2,0,0,0,0|2,0,0]=4 24663 B13R1.656 FCCNCc1cc(ccc1Br)Br 34a_100000707832_100011217306 [0,2,0,0,0,0|2,0,0]=4 24664 B13R1.656 FCCNCc1cc(ccc1Br)Br 34a_100000724931_100011982794 [0,2,0,0,0,0|2,0,0]=4 24665 B13R1.656 FCCNCc1cc(ccc1Br)Cl 34a_100000724931_100000733903 [0,2,0,0,0,0|2,0,0]=4 24666 B13R1.656 FCCNCc1cc(ccc1Br)F 2230a_100000742738_100011217306 [0,2,0,0,0,0|2,0,0]=4 24667 B13R1.656 FCCNCc1cc(ccc1Br)F 34a_100000724931_100000736370 [0,2,0,0,0,0|2,0,0]=4 24668 B13R1.656 FCCNCc1cc(ccc1Br)F 34a_100000742738_100011217306 [0,2,0,0,0,0|2,0,0]=4 24669 B13R1.656 FCCNCc1cc(ccc1Br)I 34a_100000724931_100012355412 [0,2,0,0,0,0|2,0,0]=4 24670 B13R1.656 FCCNCc1cc(ccc1Cl)Br 34a_100000724931_100000763347 [0,2,0,0,0,0|2,0,0]=4 24671 B13R1.656 FCCNCc1cc(ccc1Cl)Br 34a_100025772652_100011217306 [0,2,0,0,0,0|2,0,0]=4 24672 B13R1.656 FCCNCc1cc(ccc1Cl)Cl 34a_100000724931_100000756322 [0,2,0,0,0,0|2,0,0]=4 24673 B13R1.656 FCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100011217306 [0,2,0,0,0,0|2,0,0]=4 24674 B13R1.656 FCCNCc1cc(ccc1Cl)F 2230a_100011830483_100011217306 [0,2,0,0,0,0|2,0,0]=4 24675 B13R1.656 FCCNCc1cc(ccc1Cl)F 34a_100000724931_100000709952 [0,2,0,0,0,0|2,0,0]=4 24676 B13R1.656 FCCNCc1cc(ccc1Cl)F 34a_100011830483_100011217306 [0,2,0,0,0,0|2,0,0]=4 24677 B13R1.656 FCCNCc1cc(ccc1Cl)I 34a_100000724931_100010188191 [0,2,0,0,0,0|2,0,0]=4 24678 B13R1.656 FCCNCc1cc(ccc1F)Br 34a_100000724931_100000736399 [0,2,0,0,0,0|2,0,0]=4 24679 B13R1.656 FCCNCc1cc(ccc1F)Br 34a_100009815772_100011217306 [0,2,0,0,0,0|2,0,0]=4 24680 B13R1.656 FCCNCc1cc(ccc1F)Cl 34a_100000724931_100000716957 [0,2,0,0,0,0|2,0,0]=4 24681 B13R1.656 FCCNCc1cc(ccc1F)Cl 34a_100011211646_100011217306 [0,2,0,0,0,0|2,0,0]=4 24682 B13R1.656 FCCNCc1cc(ccc1F)F 34a_100000724931_100000741279 [0,2,0,0,0,0|2,0,0]=4 24683 B13R1.656 FCCNCc1cc(ccc1F)F 34a_100000752317_100011217306 [0,2,0,0,0,0|2,0,0]=4 24684 B13R1.656 FCCNCc1cc(ccc1F)I 34a_100000724931_200010149601 [0,2,0,0,0,0|2,0,0]=4 24685 B13R1.656 FCCNCc1cc(ccc1I)Br 34a_100000724931_100012362523 [0,2,0,0,0,0|2,0,0]=4 24686 B13R1.656 FCCNCc1cc(ccc1I)Cl 34a_100000724931_100012348826 [0,2,0,0,0,0|2,0,0]=4 24687 B13R1.656 FCCNCc1cc(ccc1I)F 34a_100000724931_100010149606 [0,2,0,0,0,0|2,0,0]=4 24688 B13R1.656 FCCOCc1cc(ccc1Br)Br 34a_100011266457_100011217306 [0,2,0,0,0,0|2,0,0]=4 24689 B13R1.656 FCCOCc1cc(ccc1Br)Br 7a_100011266457_100011217306 [0,2,0,0,0,0|2,0,0]=4 24690 B13R1.656 FCCOCc1cc(ccc1Br)Cl 34a_100012355668_100011217306 [0,2,0,0,0,0|2,0,0]=4 24691 B13R1.656 FCCOCc1cc(ccc1Br)Cl 7a_100012355668_100011217306 [0,2,0,0,0,0|2,0,0]=4 24692 B13R1.656 FCCOCc1cc(ccc1Br)F 34a_100011217561_100011217306 [0,2,0,0,0,0|2,0,0]=4 24693 B13R1.656 FCCOCc1cc(ccc1Br)F 7a_100011217561_100011217306 [0,2,0,0,0,0|2,0,0]=4 24694 B13R1.656 FCCOCc1cc(ccc1Br)I 7a_100012359683_100011217306 [0,2,0,0,0,0|2,0,0]=4 24695 B13R1.656 FCCOCc1cc(ccc1Cl)Br 34a_100011215897_100011217306 [0,2,0,0,0,0|2,0,0]=4 24696 B13R1.656 FCCOCc1cc(ccc1Cl)Br 7a_100011215897_100011217306 [0,2,0,0,0,0|2,0,0]=4 24697 B13R1.656 FCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100011217306 [0,2,0,0,0,0|2,0,0]=4 24698 B13R1.656 FCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100011217306 [0,2,0,0,0,0|2,0,0]=4 24699 B13R1.656 FCCOCc1cc(ccc1Cl)F 34a_100011218361_100011217306 [0,2,0,0,0,0|2,0,0]=4 24700 B13R1.656 FCCOCc1cc(ccc1Cl)F 7a_100011218361_100011217306 [0,2,0,0,0,0|2,0,0]=4 24701 B13R1.656 FCCOCc1cc(ccc1Cl)I 34a_100010128486_100011217306 [0,2,0,0,0,0|2,0,0]=4 24702 B13R1.656 FCCOCc1cc(ccc1Cl)I 7a_100010128486_100011217306 [0,2,0,0,0,0|2,0,0]=4 24703 B13R1.656 FCCOCc1cc(ccc1F)Br 34a_100000246282_100011217306 [0,2,0,0,0,0|2,0,0]=4 24704 B13R1.656 FCCOCc1cc(ccc1F)Br 7a_100000246282_100011217306 [0,2,0,0,0,0|2,0,0]=4 24705 B13R1.656 FCCOCc1cc(ccc1F)Cl 34a_100011217248_100011217306 [0,2,0,0,0,0|2,0,0]=4 24706 B13R1.656 FCCOCc1cc(ccc1F)Cl 7a_100011217248_100011217306 [0,2,0,0,0,0|2,0,0]=4 24707 B13R1.656 FCCOCc1cc(ccc1F)F 34a_100011217725_100011217306 [0,2,0,0,0,0|2,0,0]=4 24708 B13R1.656 FCCOCc1cc(ccc1F)F 7a_100011217725_100011217306 [0,2,0,0,0,0|2,0,0]=4 24709 B13R1.656 FCCOCc1cc(ccc1F)I 34a_100000049604_100011217306 [0,2,0,0,0,0|2,0,0]=4 24710 B13R1.656 FCCOCc1cc(ccc1F)I 7a_100000049604_100011217306 [0,2,0,0,0,0|2,0,0]=4 24711 B13R1.656 FCCOCc1cc(ccc1I)Br 34a_100011356890_100011217306 [0,2,0,0,0,0|2,0,0]=4 24712 B13R1.656 FCCOCc1cc(ccc1I)Br 7a_100011356890_100011217306 [0,2,0,0,0,0|2,0,0]=4 24713 B13R1.656 FCCOCc1cc(ccc1I)F 34a_100010255287_100011217306 [0,2,0,0,0,0|2,0,0]=4 24714 B13R1.656 FCCOCc1cc(ccc1I)F 7a_100010255287_100011217306 [0,2,0,0,0,0|2,0,0]=4 24715 B13R1.656 FCCSCc1cc(ccc1Br)Br 62a_100011217306_100011982794 [0,2,0,0,0,0|2,0,0]=4 24716 B13R1.656 FCCSCc1cc(ccc1Br)Br 62a_100011982794_100011217306 [0,2,0,0,0,0|2,0,0]=4 24717 B13R1.656 FCCSCc1cc(ccc1Br)Cl 62a_100000733903_100011217306 [0,2,0,0,0,0|2,0,0]=4 24718 B13R1.656 FCCSCc1cc(ccc1Br)Cl 62a_100011217306_100000733903 [0,2,0,0,0,0|2,0,0]=4 24719 B13R1.656 FCCSCc1cc(ccc1Br)F 62a_100000736370_100011217306 [0,2,0,0,0,0|2,0,0]=4 24720 B13R1.656 FCCSCc1cc(ccc1Br)F 62a_100011217306_100000736370 [0,2,0,0,0,0|2,0,0]=4 24721 B13R1.656 FCCSCc1cc(ccc1Br)I 62a_100011217306_100012355412 [0,2,0,0,0,0|2,0,0]=4 24722 B13R1.656 FCCSCc1cc(ccc1Br)I 62a_100012355412_100011217306 [0,2,0,0,0,0|2,0,0]=4 24723 B13R1.656 FCCSCc1cc(ccc1Cl)Br 62a_100000763347_100011217306 [0,2,0,0,0,0|2,0,0]=4 24724 B13R1.656 FCCSCc1cc(ccc1Cl)Br 62a_100011217306_100000763347 [0,2,0,0,0,0|2,0,0]=4 24725 B13R1.656 FCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100011217306 [0,2,0,0,0,0|2,0,0]=4 24726 B13R1.656 FCCSCc1cc(ccc1Cl)Cl 62a_100011217306_100000756322 [0,2,0,0,0,0|2,0,0]=4 24727 B13R1.656 FCCSCc1cc(ccc1Cl)F 62a_100000709952_100011217306 [0,2,0,0,0,0|2,0,0]=4 24728 B13R1.656 FCCSCc1cc(ccc1Cl)F 62a_100011217306_100000709952 [0,2,0,0,0,0|2,0,0]=4 24729 B13R1.656 FCCSCc1cc(ccc1Cl)I 62a_100010188191_100011217306 [0,2,0,0,0,0|2,0,0]=4 24730 B13R1.656 FCCSCc1cc(ccc1Cl)I 62a_100011217306_100010188191 [0,2,0,0,0,0|2,0,0]=4 24731 B13R1.656 FCCSCc1cc(ccc1F)Br 62a_100000736399_100011217306 [0,2,0,0,0,0|2,0,0]=4 24732 B13R1.656 FCCSCc1cc(ccc1F)Br 62a_100011217306_100000736399 [0,2,0,0,0,0|2,0,0]=4 24733 B13R1.656 FCCSCc1cc(ccc1F)Cl 62a_100000716957_100011217306 [0,2,0,0,0,0|2,0,0]=4 24734 B13R1.656 FCCSCc1cc(ccc1F)Cl 62a_100011217306_100000716957 [0,2,0,0,0,0|2,0,0]=4 24735 B13R1.656 FCCSCc1cc(ccc1F)F 62a_100000685659_100011217306 [0,2,0,0,0,0|2,0,0]=4 24736 B13R1.656 FCCSCc1cc(ccc1F)F 62a_100011217306_100000685659 [0,2,0,0,0,0|2,0,0]=4 24737 B13R1.656 FCCSCc1cc(ccc1F)I 62a_100011217306_200010149601 [0,2,0,0,0,0|2,0,0]=4 24738 B13R1.656 FCCSCc1cc(ccc1F)I 62a_200010149601_100011217306 [0,2,0,0,0,0|2,0,0]=4 24739 B13R1.656 FCCSCc1cc(ccc1I)Br 62a_100011217306_100012362523 [0,2,0,0,0,0|2,0,0]=4 24740 B13R1.656 FCCSCc1cc(ccc1I)Br 62a_100012362523_100011217306 [0,2,0,0,0,0|2,0,0]=4 24741 B13R1.656 FCCSCc1cc(ccc1I)Cl 62a_100011217306_100012348826 [0,2,0,0,0,0|2,0,0]=4 24742 B13R1.656 FCCSCc1cc(ccc1I)Cl 62a_100012348826_100011217306 [0,2,0,0,0,0|2,0,0]=4 24743 B13R1.656 FCCSCc1cc(ccc1I)F 62a_100010149606_100011217306 [0,2,0,0,0,0|2,0,0]=4 24744 B13R1.656 FCCSCc1cc(ccc1I)F 62a_100011217306_100010149606 [0,2,0,0,0,0|2,0,0]=4 24745 B13R1.656 FCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100015361967 [0,2,0,0,0,0|2,0,0]=4 24746 B13R1.656 FCNCCc1cc(ccc1F)Cl 34a_200011997525_100015361967 [0,2,0,0,0,0|2,0,0]=4 24747 B13R1.656 FCOCCc1cc(ccc1Br)Cl 34a_100012426913_100015361967 [0,2,0,0,0,0|2,0,0]=4 24748 B13R1.656 FCOCCc1cc(ccc1Br)Cl 7a_100012426913_100015361967 [0,2,0,0,0,0|2,0,0]=4 24749 B13R1.656 FCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100015361967 [0,2,0,0,0,0|2,0,0]=4 24750 B13R1.656 FCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100015361967 [0,2,0,0,0,0|2,0,0]=4 24751 B13R1.656 FCOCCc1cc(ccc1F)F 34a_100011755048_100015361967 [0,2,0,0,0,0|2,0,0]=4 24752 B13R1.656 FCOCCc1cc(ccc1F)F 7a_100011755048_100015361967 [0,2,0,0,0,0|2,0,0]=4 24753 B13R1.656 FCSCCc1cc(ccc1F)F 62a_100011755056_100015361967 [0,2,0,0,0,0|2,0,0]=4 24754 B13R1.656 FCSCCc1cc(ccc1F)F 62a_100015361967_100011755056 [0,2,0,0,0,0|2,0,0]=4 24755 B13R1.656 Fc1ccc(c(c1)COCCBr)Br 34a_100000211926_100000736370 [0,2,0,0,0,0|2,0,0]=4 24756 B13R1.656 Fc1ccc(c(c1)COCCBr)Cl 34a_100000211926_100000709952 [0,2,0,0,0,0|2,0,0]=4 24757 B13R1.656 Fc1ccc(c(c1)COCCBr)F 34a_100000211926_100000741279 [0,2,0,0,0,0|2,0,0]=4 24758 B13R1.656 Fc1ccc(c(c1)COCCBr)I 34a_100000211926_100010149606 [0,2,0,0,0,0|2,0,0]=4 24759 B13R1.656 Fc1ccc(cc1COCCBr)Br 34a_100000211926_100000736399 [0,2,0,0,0,0|2,0,0]=4 24760 B13R1.656 Fc1ccc(cc1COCCBr)Cl 34a_100000211926_100000716957 [0,2,0,0,0,0|2,0,0]=4 24761 B13R1.656 Fc1ccc(cc1COCCBr)I 34a_100000211926_200010149601 [0,2,0,0,0,0|2,0,0]=4 24762 B13R1.656 NCCOCc1cc(ccc1Br)Br 34a_100000210304_100011982794 [0,2,0,0,0,0|1,0,0]=3 24763 B13R1.656 NCCOCc1cc(ccc1Br)Cl 34a_100000210304_100000733903 [0,2,0,0,0,0|1,0,0]=3 24764 B13R1.656 NCCOCc1cc(ccc1Br)F 34a_100000210304_100000736370 [0,2,0,0,0,0|1,0,0]=3 24765 B13R1.656 NCCOCc1cc(ccc1Br)I 34a_100000210304_100012355412 [0,2,0,0,0,0|1,0,0]=3 24766 B13R1.656 NCCOCc1cc(ccc1Cl)Br 34a_100000210304_100000763347 [0,2,0,0,0,0|1,0,0]=3 24767 B13R1.656 NCCOCc1cc(ccc1Cl)Cl 34a_100000210304_100000756322 [0,2,0,0,0,0|1,0,0]=3 24768 B13R1.656 NCCOCc1cc(ccc1Cl)F 34a_100000210304_100000709952 [0,2,0,0,0,0|1,0,0]=3 24769 B13R1.656 NCCOCc1cc(ccc1Cl)I 34a_100000210304_100010188191 [0,2,0,0,0,0|1,0,0]=3 24770 B13R1.656 NCCOCc1cc(ccc1F)Br 34a_100000210304_100000736399 [0,2,0,0,0,0|1,0,0]=3 24771 B13R1.656 NCCOCc1cc(ccc1F)Cl 34a_100000210304_100000716957 [0,2,0,0,0,0|1,0,0]=3 24772 B13R1.656 NCCOCc1cc(ccc1F)F 34a_100000210304_100000741279 [0,2,0,0,0,0|1,0,0]=3 24773 B13R1.656 NCCOCc1cc(ccc1F)I 34a_100000210304_200010149601 [0,2,0,0,0,0|1,0,0]=3 24774 B13R1.656 NCCOCc1cc(ccc1I)Br 34a_100000210304_100012362523 [0,2,0,0,0,0|1,0,0]=3 24775 B13R1.656 NCCOCc1cc(ccc1I)Cl 34a_100000210304_100012348826 [0,2,0,0,0,0|1,0,0]=3 24776 B13R1.656 NCCOCc1cc(ccc1I)F 34a_100000210304_100010149606 [0,2,0,0,0,0|1,0,0]=3 24777 B13R1.656 NCCOCc1cc(ccc1O)F 34a_100000210304_100010161318 [0,2,0,0,0,0|1,0,0]=3 24778 B13R1.656 NCCOCc1cc(cnc1Br)Br 34a_100000210304_100010253922 [0,2,0,0,0,0|2,0,0]=4 24779 B13R1.656 NCCOCc1cc(cnc1Cl)Br 34a_100000210304_100009816982 [0,2,0,0,0,0|2,0,0]=4 24780 B13R1.656 NCCOCc1nc(ccc1Cl)Cl 34a_100000210304_100000059412 [0,2,0,0,0,0|2,0,0]=4 24781 B13R1.656 NCCOCc1nc(ccc1F)Br 34a_100000210304_100010065826 [0,2,0,0,0,0|2,0,0]=4 24782 B13R1.656 NCCOCc1nc(ccc1F)Cl 34a_100000210304_100009881012 [0,2,0,0,0,0|2,0,0]=4 24783 B13R1.656 Nc1ccc(c(c1)COCCF)Br 34a_100012347228_100011217306 [0,2,0,0,0,0|2,0,0]=4 24784 B13R1.656 Nc1ccc(c(c1)COCCF)Cl 34a_100011273577_100011217306 [0,2,0,0,0,0|2,0,0]=4 24785 B13R1.656 Nc1ccc(c(c1)COCCF)F 34a_100011218011_100011217306 [0,2,0,0,0,0|2,0,0]=4 24786 B13R1.656 Nc1ccc(c(c1)COCCO)Br 34a_100012347228_100000211926 [0,2,0,0,0,0|2,0,0]=4 24787 B13R1.656 Nc1ccc(c(c1)COCCO)Cl 34a_100011273577_100000211926 [0,2,0,0,0,0|2,0,0]=4 24788 B13R1.656 Nc1ccc(c(c1)COCCO)F 34a_100011218011_100000211926 [0,2,0,0,0,0|2,0,0]=4 24789 B13R1.656 Nc1ccc(c(c1)OCCCF)Cl 34a_100011934209_100011934791 [0,2,0,0,0,0|2,0,0]=4 24790 B13R1.656 Nc1ccc(c(c1)OCCCF)F 34a_100012017398_100011934791 [0,2,0,0,0,0|2,0,0]=4 24791 B13R1.656 Nc1ccc(c(c1)OCCCF)F 7a_100012017398_100011934791 [0,2,0,0,0,0|2,0,0]=4 24792 B13R1.656 Nc1ccc(c(c1)OCCCF)N 34a_100025717382_100011934791 [0,2,0,0,0,0|2,0,0]=4 24793 B13R1.656 Nc1ccc(c(c1)OCCCO)Cl 34a_100011934209_100000230001 [0,2,0,0,0,0|2,0,0]=4 24794 B13R1.656 Nc1ccc(c(c1)OCCCO)F 34a_100012017398_100000230001 [0,2,0,0,0,0|2,0,0]=4 24795 B13R1.656 Nc1ccc(c(c1)OCCCO)F 7a_100012017398_100011215043 [0,2,0,0,0,0|2,0,0]=4 24796 B13R1.656 Nc1ccc(c(c1)OCCCO)N 34a_100025717382_100000230001 [0,2,0,0,0,0|2,0,0]=4 24797 B13R1.656 Nc1ccc(c(c1)SCCCF)Br 62a_100000750459_100011934791 [0,2,0,0,0,0|2,0,0]=4 24798 B13R1.656 Nc1ccc(c(c1)SCCCF)Br 62a_100011934791_100000750459 [0,2,0,0,0,0|2,0,0]=4 24799 B13R1.656 Nc1ccc(c(c1)SCCCF)Cl 62a_100011934791_100012360549 [0,2,0,0,0,0|2,0,0]=4 24800 B13R1.656 Nc1ccc(c(c1)SCCCF)Cl 62a_100012360549_100011934791 [0,2,0,0,0,0|2,0,0]=4 24801 B13R1.656 Nc1ccc(c(c1)SCCCF)F 62a_100000760356_100011934791 [0,2,0,0,0,0|2,0,0]=4 24802 B13R1.656 Nc1ccc(c(c1)SCCCF)F 62a_100011934791_100000760356 [0,2,0,0,0,0|2,0,0]=4 24803 B13R1.656 Nc1ccc(c(c1)SCCCF)N 62a_100011534242_100011934791 [0,2,0,0,0,0|2,0,0]=4 24804 B13R1.656 Nc1ccc(c(c1)SCCCF)N 62a_100011934791_100011534242 [0,2,0,0,0,0|2,0,0]=4 24805 B13R1.656 Nc1ccc(c(c1)SCCCF)O 62a_100011534360_100011934791 [0,2,0,0,0,0|2,0,0]=4 24806 B13R1.656 Nc1ccc(c(c1)SCCCF)O 62a_100011934791_100011534360 [0,2,0,0,0,0|2,0,0]=4 24807 B13R1.656 Nc1ccc(c(c1)SCCCO)Br 62a_100000750459_100011215043 [0,2,0,0,0,0|2,0,0]=4 24808 B13R1.656 Nc1ccc(c(c1)SCCCO)Br 62a_100011215043_100000750459 [0,2,0,0,0,0|2,0,0]=4 24809 B13R1.656 Nc1ccc(c(c1)SCCCO)Cl 62a_100011215043_100012360549 [0,2,0,0,0,0|2,0,0]=4 24810 B13R1.656 Nc1ccc(c(c1)SCCCO)Cl 62a_100012360549_100011215043 [0,2,0,0,0,0|2,0,0]=4 24811 B13R1.656 Nc1ccc(c(c1)SCCCO)F 62a_100000760356_100011215043 [0,2,0,0,0,0|2,0,0]=4 24812 B13R1.656 Nc1ccc(c(c1)SCCCO)F 62a_100011215043_100000760356 [0,2,0,0,0,0|2,0,0]=4 24813 B13R1.656 Nc1ccc(c(c1)SCCCO)N 62a_100011215043_100011534242 [0,2,0,0,0,0|2,0,0]=4 24814 B13R1.656 Nc1ccc(c(c1)SCCCO)N 62a_100011534242_100011215043 [0,2,0,0,0,0|2,0,0]=4 24815 B13R1.656 Nc1ccc(c(c1)SCCCO)O 62a_100011215043_100011534360 [0,2,0,0,0,0|2,0,0]=4 24816 B13R1.656 Nc1ccc(c(c1)SCCCO)O 62a_100011534360_100011215043 [0,2,0,0,0,0|2,0,0]=4 24817 B13R1.656 Nc1ccc(cc1COCCF)Br 34a_100012353972_100011217306 [0,2,0,0,0,0|2,0,0]=4 24818 B13R1.656 Nc1ccc(cc1COCCF)Br 7a_100012353972_100011217306 [0,2,0,0,0,0|2,0,0]=4 24819 B13R1.656 Nc1ccc(cc1COCCF)Cl 34a_100011214999_100011217306 [0,2,0,0,0,0|2,0,0]=4 24820 B13R1.656 Nc1ccc(cc1COCCF)Cl 7a_100011214999_100011217306 [0,2,0,0,0,0|2,0,0]=4 24821 B13R1.656 Nc1ccc(cc1COCCF)F 34a_100011296978_100011217306 [0,2,0,0,0,0|2,0,0]=4 24822 B13R1.656 Nc1ccc(cc1COCCF)F 7a_100011296978_100011217306 [0,2,0,0,0,0|2,0,0]=4 24823 B13R1.656 Nc1ccc(cc1COCCO)Br 34a_100012353972_100000211926 [0,2,0,0,0,0|2,0,0]=4 24824 B13R1.656 Nc1ccc(cc1COCCO)Br 7a_100012353972_100000211926 [0,2,0,0,0,0|2,0,0]=4 24825 B13R1.656 Nc1ccc(cc1COCCO)Cl 34a_100011214999_100000211926 [0,2,0,0,0,0|2,0,0]=4 24826 B13R1.656 Nc1ccc(cc1COCCO)Cl 7a_100011214999_100000211926 [0,2,0,0,0,0|2,0,0]=4 24827 B13R1.656 Nc1ccc(cc1COCCO)F 34a_100011296978_100000211926 [0,2,0,0,0,0|2,0,0]=4 24828 B13R1.656 Nc1ccc(cc1COCCO)F 7a_100011296978_100000211926 [0,2,0,0,0,0|2,0,0]=4 24829 B13R1.656 Nc1ccc(cc1OCCCF)Br 34a_100000739049_100011934791 [0,2,0,0,0,0|2,0,0]=4 24830 B13R1.656 Nc1ccc(cc1OCCCF)Br 7a_100000739049_100011934791 [0,2,0,0,0,0|2,0,0]=4 24831 B13R1.656 Nc1ccc(cc1OCCCF)Cl 34a_100000185728_100011934791 [0,2,0,0,0,0|2,0,0]=4 24832 B13R1.656 Nc1ccc(cc1OCCCF)Cl 7a_100000185728_100011934791 [0,2,0,0,0,0|2,0,0]=4 24833 B13R1.656 Nc1ccc(cc1OCCCF)F 34a_100000753323_100011934791 [0,2,0,0,0,0|2,0,0]=4 24834 B13R1.656 Nc1ccc(cc1OCCCF)F 7a_100000753323_100011934791 [0,2,0,0,0,0|2,0,0]=4 24835 B13R1.656 Nc1ccc(cc1OCCCF)I 34a_100000057187_100011934791 [0,2,0,0,0,0|2,0,0]=4 24836 B13R1.656 Nc1ccc(cc1OCCCF)I 7a_100000057187_100011934791 [0,2,0,0,0,0|2,0,0]=4 24837 B13R1.656 Nc1ccc(cc1OCCCO)Br 34a_100000739049_100000230001 [0,2,0,0,0,0|2,0,0]=4 24838 B13R1.656 Nc1ccc(cc1OCCCO)Br 7a_100000739049_100011215043 [0,2,0,0,0,0|2,0,0]=4 24839 B13R1.656 Nc1ccc(cc1OCCCO)Cl 34a_100000185728_100000230001 [0,2,0,0,0,0|2,0,0]=4 24840 B13R1.656 Nc1ccc(cc1OCCCO)Cl 7a_100000185728_100011215043 [0,2,0,0,0,0|2,0,0]=4 24841 B13R1.656 Nc1ccc(cc1OCCCO)F 34a_100000753323_100000230001 [0,2,0,0,0,0|2,0,0]=4 24842 B13R1.656 Nc1ccc(cc1OCCCO)F 7a_100000753323_100011215043 [0,2,0,0,0,0|2,0,0]=4 24843 B13R1.656 Nc1ccc(cc1OCCCO)I 34a_100000057187_100000230001 [0,2,0,0,0,0|2,0,0]=4 24844 B13R1.656 Nc1ccc(cc1OCCCO)I 7a_100000057187_100011215043 [0,2,0,0,0,0|2,0,0]=4 24845 B13R1.656 Nc1ccc(cc1SCCCF)Br 62a_100000187925_100011934791 [0,2,0,0,0,0|2,0,0]=4 24846 B13R1.656 Nc1ccc(cc1SCCCF)Br 62a_100011934791_100000187925 [0,2,0,0,0,0|2,0,0]=4 24847 B13R1.656 Nc1ccc(cc1SCCCF)Cl 62a_100000761889_100011934791 [0,2,0,0,0,0|2,0,0]=4 24848 B13R1.656 Nc1ccc(cc1SCCCF)Cl 62a_100011934791_100000761889 [0,2,0,0,0,0|2,0,0]=4 24849 B13R1.656 Nc1ccc(cc1SCCCF)F 62a_100000760547_100011934791 [0,2,0,0,0,0|2,0,0]=4 24850 B13R1.656 Nc1ccc(cc1SCCCF)F 62a_100011934791_100000760547 [0,2,0,0,0,0|2,0,0]=4 24851 B13R1.656 Nc1ccc(cc1SCCCF)O 62a_100011934791_100012001276 [0,2,0,0,0,0|2,0,0]=4 24852 B13R1.656 Nc1ccc(cc1SCCCF)O 62a_100012001276_100011934791 [0,2,0,0,0,0|2,0,0]=4 24853 B13R1.656 Nc1ccc(cc1SCCCO)Br 62a_100000187925_100011215043 [0,2,0,0,0,0|2,0,0]=4 24854 B13R1.656 Nc1ccc(cc1SCCCO)Br 62a_100011215043_100000187925 [0,2,0,0,0,0|2,0,0]=4 24855 B13R1.656 Nc1ccc(cc1SCCCO)Cl 62a_100000761889_100011215043 [0,2,0,0,0,0|2,0,0]=4 24856 B13R1.656 Nc1ccc(cc1SCCCO)Cl 62a_100011215043_100000761889 [0,2,0,0,0,0|2,0,0]=4 24857 B13R1.656 Nc1ccc(cc1SCCCO)F 62a_100000760547_100011215043 [0,2,0,0,0,0|2,0,0]=4 24858 B13R1.656 Nc1ccc(cc1SCCCO)F 62a_100011215043_100000760547 [0,2,0,0,0,0|2,0,0]=4 24859 B13R1.656 Nc1ccc(cc1SCCCO)O 62a_100011215043_100012001276 [0,2,0,0,0,0|2,0,0]=4 24860 B13R1.656 Nc1ccc(cc1SCCCO)O 62a_100012001276_100011215043 [0,2,0,0,0,0|2,0,0]=4 24861 B13R1.656 OCCCNc1cc(ccc1Br)Br 34a_100000737762_100000230001 [0,2,0,0,0,0|2,0,0]=4 24862 B13R1.656 OCCCNc1cc(ccc1Br)Cl 34a_100000687073_100000230001 [0,2,0,0,0,0|2,0,0]=4 24863 B13R1.656 OCCCNc1cc(ccc1Br)F 34a_100000687223_100000230001 [0,2,0,0,0,0|2,0,0]=4 24864 B13R1.656 OCCCNc1cc(ccc1Br)O 34a_100011999798_100000230001 [0,2,0,0,0,0|2,0,0]=4 24865 B13R1.656 OCCCNc1cc(ccc1Cl)Br 34a_100000750497_100000230001 [0,2,0,0,0,0|2,0,0]=4 24866 B13R1.656 OCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000230001 [0,2,0,0,0,0|2,0,0]=4 24867 B13R1.656 OCCCNc1cc(ccc1Cl)F 34a_100000751338_100000230001 [0,2,0,0,0,0|2,0,0]=4 24868 B13R1.656 OCCCNc1cc(ccc1Cl)I 34a_200000761891_100000230001 [0,2,0,0,0,0|2,0,0]=4 24869 B13R1.656 OCCCNc1cc(ccc1Cl)O 34a_100011934297_100000230001 [0,2,0,0,0,0|2,0,0]=4 24870 B13R1.656 OCCCNc1cc(ccc1F)Br 34a_100000740924_100000230001 [0,2,0,0,0,0|2,0,0]=4 24871 B13R1.656 OCCCNc1cc(ccc1F)Cl 34a_100000212115_100000230001 [0,2,0,0,0,0|2,0,0]=4 24872 B13R1.656 OCCCNc1cc(ccc1F)F 34a_100000210742_100000230001 [0,2,0,0,0,0|2,0,0]=4 24873 B13R1.656 OCCCNc1cc(ccc1F)I 34a_100011464823_100000230001 [0,2,0,0,0,0|2,0,0]=4 24874 B13R1.656 OCCCNc1cc(ccc1F)O 34a_100012017239_100000230001 [0,2,0,0,0,0|2,0,0]=4 24875 B13R1.656 OCCCNc1cc(ccc1I)Br 34a_100000743836_100000230001 [0,2,0,0,0,0|2,0,0]=4 24876 B13R1.656 OCCCNc1cc(ccc1I)Cl 34a_100000761886_100000230001 [0,2,0,0,0,0|2,0,0]=4 24877 B13R1.656 OCCCNc1cc(ccc1I)F 34a_100011218093_100000230001 [0,2,0,0,0,0|2,0,0]=4 24878 B13R1.656 OCCCNc1cc(ccc1O)Br 34a_100000752626_100000230001 [0,2,0,0,0,0|2,0,0]=4 24879 B13R1.656 OCCCNc1cc(ccc1O)Cl 34a_100000210500_100000230001 [0,2,0,0,0,0|2,0,0]=4 24880 B13R1.656 OCCCNc1cc(ccc1O)F 34a_100000759472_100000230001 [0,2,0,0,0,0|2,0,0]=4 24881 B13R1.656 OCCCOc1cc(ccc1Br)Br 34a_100011220040_100000230001 [0,2,0,0,0,0|2,0,0]=4 24882 B13R1.656 OCCCOc1cc(ccc1Br)Br 7a_100011220040_100011215043 [0,2,0,0,0,0|2,0,0]=4 24883 B13R1.656 OCCCOc1cc(ccc1Br)Cl 34a_100012339455_100000230001 [0,2,0,0,0,0|2,0,0]=4 24884 B13R1.656 OCCCOc1cc(ccc1Br)Cl 7a_100012339455_100011215043 [0,2,0,0,0,0|2,0,0]=4 24885 B13R1.656 OCCCOc1cc(ccc1Br)F 34a_100000690578_100000230001 [0,2,0,0,0,0|2,0,0]=4 24886 B13R1.656 OCCCOc1cc(ccc1Br)F 7a_100000690578_100011215043 [0,2,0,0,0,0|2,0,0]=4 24887 B13R1.656 OCCCOc1cc(ccc1Br)I 34a_100012356990_100000230001 [0,2,0,0,0,0|2,0,0]=4 24888 B13R1.656 OCCCOc1cc(ccc1Br)I 7a_100012356990_100011215043 [0,2,0,0,0,0|2,0,0]=4 24889 B13R1.656 OCCCOc1cc(ccc1Cl)Br 34a_100000738945_100000230001 [0,2,0,0,0,0|2,0,0]=4 24890 B13R1.656 OCCCOc1cc(ccc1Cl)Br 7a_100000738945_100011215043 [0,2,0,0,0,0|2,0,0]=4 24891 B13R1.656 OCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000230001 [0,2,0,0,0,0|2,0,0]=4 24892 B13R1.656 OCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011215043 [0,2,0,0,0,0|2,0,0]=4 24893 B13R1.656 OCCCOc1cc(ccc1Cl)F 34a_100000692107_100000230001 [0,2,0,0,0,0|2,0,0]=4 24894 B13R1.656 OCCCOc1cc(ccc1Cl)F 7a_100000692107_100011215043 [0,2,0,0,0,0|2,0,0]=4 24895 B13R1.656 OCCCOc1cc(ccc1Cl)I 34a_100011356854_100000230001 [0,2,0,0,0,0|2,0,0]=4 24896 B13R1.656 OCCCOc1cc(ccc1Cl)I 7a_100011356854_100011215043 [0,2,0,0,0,0|2,0,0]=4 24897 B13R1.656 OCCCOc1cc(ccc1F)Br 34a_100000686035_100000230001 [0,2,0,0,0,0|2,0,0]=4 24898 B13R1.656 OCCCOc1cc(ccc1F)Br 7a_100000686035_100011215043 [0,2,0,0,0,0|2,0,0]=4 24899 B13R1.656 OCCCOc1cc(ccc1F)Cl 34a_100000757397_100000230001 [0,2,0,0,0,0|2,0,0]=4 24900 B13R1.656 OCCCOc1cc(ccc1F)Cl 7a_100000757397_100011215043 [0,2,0,0,0,0|2,0,0]=4 24901 B13R1.656 OCCCOc1cc(ccc1F)F 34a_100000752141_100000230001 [0,2,0,0,0,0|2,0,0]=4 24902 B13R1.656 OCCCOc1cc(ccc1F)F 7a_100000752141_100011215043 [0,2,0,0,0,0|2,0,0]=4 24903 B13R1.656 OCCCOc1cc(ccc1F)I 34a_100009958187_100000230001 [0,2,0,0,0,0|2,0,0]=4 24904 B13R1.656 OCCCOc1cc(ccc1F)I 7a_100009958187_100011215043 [0,2,0,0,0,0|2,0,0]=4 24905 B13R1.656 OCCCOc1cc(ccc1I)Br 34a_100012344904_100000230001 [0,2,0,0,0,0|2,0,0]=4 24906 B13R1.656 OCCCOc1cc(ccc1I)Br 7a_100012344904_100011215043 [0,2,0,0,0,0|2,0,0]=4 24907 B13R1.656 OCCCOc1cc(ccc1I)Cl 34a_100000050036_100000230001 [0,2,0,0,0,0|2,0,0]=4 24908 B13R1.656 OCCCOc1cc(ccc1I)Cl 7a_100000050036_100011215043 [0,2,0,0,0,0|2,0,0]=4 24909 B13R1.656 OCCCOc1cc(ccc1I)F 34a_100010084537_100000230001 [0,2,0,0,0,0|2,0,0]=4 24910 B13R1.656 OCCCOc1cc(ccc1I)F 7a_100010084537_100011215043 [0,2,0,0,0,0|2,0,0]=4 24911 B13R1.656 OCCCSc1cc(ccc1Br)Br 62a_100011215043_100011483371 [0,2,0,0,0,0|2,0,0]=4 24912 B13R1.656 OCCCSc1cc(ccc1Br)Br 62a_100011483371_100011215043 [0,2,0,0,0,0|2,0,0]=4 24913 B13R1.656 OCCCSc1cc(ccc1Br)Cl 62a_100011215043_100012339723 [0,2,0,0,0,0|2,0,0]=4 24914 B13R1.656 OCCCSc1cc(ccc1Br)Cl 62a_100012339723_100011215043 [0,2,0,0,0,0|2,0,0]=4 24915 B13R1.656 OCCCSc1cc(ccc1Br)F 62a_100011215043_100011217576 [0,2,0,0,0,0|2,0,0]=4 24916 B13R1.656 OCCCSc1cc(ccc1Br)F 62a_100011217576_100011215043 [0,2,0,0,0,0|2,0,0]=4 24917 B13R1.656 OCCCSc1cc(ccc1Br)O 62a_100011215043_100012339312 [0,2,0,0,0,0|2,0,0]=4 24918 B13R1.656 OCCCSc1cc(ccc1Br)O 62a_100012339312_100011215043 [0,2,0,0,0,0|2,0,0]=4 24919 B13R1.656 OCCCSc1cc(ccc1Cl)Br 62a_100011215043_100011772130 [0,2,0,0,0,0|2,0,0]=4 24920 B13R1.656 OCCCSc1cc(ccc1Cl)Br 62a_100011772130_100011215043 [0,2,0,0,0,0|2,0,0]=4 24921 B13R1.656 OCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011215043 [0,2,0,0,0,0|2,0,0]=4 24922 B13R1.656 OCCCSc1cc(ccc1Cl)Cl 62a_100011215043_100000707729 [0,2,0,0,0,0|2,0,0]=4 24923 B13R1.656 OCCCSc1cc(ccc1Cl)F 62a_100011215043_100011217299 [0,2,0,0,0,0|2,0,0]=4 24924 B13R1.656 OCCCSc1cc(ccc1Cl)F 62a_100011217299_100011215043 [0,2,0,0,0,0|2,0,0]=4 24925 B13R1.656 OCCCSc1cc(ccc1Cl)O 62a_100000049588_100011215043 [0,2,0,0,0,0|2,0,0]=4 24926 B13R1.656 OCCCSc1cc(ccc1Cl)O 62a_100011215043_100000049588 [0,2,0,0,0,0|2,0,0]=4 24927 B13R1.656 OCCCSc1cc(ccc1F)Br 62a_100011215043_100011217312 [0,2,0,0,0,0|2,0,0]=4 24928 B13R1.656 OCCCSc1cc(ccc1F)Br 62a_100011217312_100011215043 [0,2,0,0,0,0|2,0,0]=4 24929 B13R1.656 OCCCSc1cc(ccc1F)Cl 62a_100011215043_100011218116 [0,2,0,0,0,0|2,0,0]=4 24930 B13R1.656 OCCCSc1cc(ccc1F)Cl 62a_100011218116_100011215043 [0,2,0,0,0,0|2,0,0]=4 24931 B13R1.656 OCCCSc1cc(ccc1F)F 62a_100011215043_100011219198 [0,2,0,0,0,0|2,0,0]=4 24932 B13R1.656 OCCCSc1cc(ccc1F)F 62a_100011219198_100011215043 [0,2,0,0,0,0|2,0,0]=4 24933 B13R1.656 OCCCSc1cc(ccc1F)O 62a_100000693481_100011215043 [0,2,0,0,0,0|2,0,0]=4 24934 B13R1.656 OCCCSc1cc(ccc1F)O 62a_100011215043_100000693481 [0,2,0,0,0,0|2,0,0]=4 24935 B13R1.656 OCCCSc1cc(ccc1O)Br 62a_100011215043_100012355227 [0,2,0,0,0,0|2,0,0]=4 24936 B13R1.656 OCCCSc1cc(ccc1O)Br 62a_100012355227_100011215043 [0,2,0,0,0,0|2,0,0]=4 24937 B13R1.656 OCCCSc1cc(ccc1O)Cl 62a_100011215043_100011356953 [0,2,0,0,0,0|2,0,0]=4 24938 B13R1.656 OCCCSc1cc(ccc1O)Cl 62a_100011356953_100011215043 [0,2,0,0,0,0|2,0,0]=4 24939 B13R1.656 OCCCSc1cc(ccc1O)F 62a_100000211999_100011215043 [0,2,0,0,0,0|2,0,0]=4 24940 B13R1.656 OCCCSc1cc(ccc1O)F 62a_100011215043_100000211999 [0,2,0,0,0,0|2,0,0]=4 24941 B13R1.656 OCCCSc1cc(ccc1O)O 62a_100011215043_100009813629 [0,2,0,0,0,0|2,0,0]=4 24942 B13R1.656 OCCNCc1cc(ccc1Br)Br 207a_100000210304_100011266429 [0,2,0,0,0,0|2,0,0]=4 24943 B13R1.656 OCCNCc1cc(ccc1Br)Br 2230a_100016997473_100011982794 [0,2,0,0,0,0|2,0,0]=4 24944 B13R1.656 OCCNCc1cc(ccc1Br)Br 270004a_100000210304_100011266429 [0,2,0,0,0,0|2,0,0]=4 24945 B13R1.656 OCCNCc1cc(ccc1Br)Br 34a_100000707832_100000211926 [0,2,0,0,0,0|2,0,0]=4 24946 B13R1.656 OCCNCc1cc(ccc1Br)Br 34a_100016990907_100011982794 [0,2,0,0,0,0|2,0,0]=4 24947 B13R1.656 OCCNCc1cc(ccc1Br)Cl 207a_100000210304_100000746314 [0,2,0,0,0,0|2,0,0]=4 24948 B13R1.656 OCCNCc1cc(ccc1Br)Cl 2230a_100016997473_100000733903 [0,2,0,0,0,0|2,0,0]=4 24949 B13R1.656 OCCNCc1cc(ccc1Br)Cl 270004a_100000210304_100000746314 [0,2,0,0,0,0|2,0,0]=4 24950 B13R1.656 OCCNCc1cc(ccc1Br)Cl 34a_100016990907_100000733903 [0,2,0,0,0,0|2,0,0]=4 24951 B13R1.656 OCCNCc1cc(ccc1Br)F 207a_100000210304_100000766564 [0,2,0,0,0,0|2,0,0]=4 24952 B13R1.656 OCCNCc1cc(ccc1Br)F 2230a_100000742738_100000211926 [0,2,0,0,0,0|2,0,0]=4 24953 B13R1.656 OCCNCc1cc(ccc1Br)F 2230a_100016997473_100000736370 [0,2,0,0,0,0|2,0,0]=4 24954 B13R1.656 OCCNCc1cc(ccc1Br)F 270004a_100000210304_100000766564 [0,2,0,0,0,0|2,0,0]=4 24955 B13R1.656 OCCNCc1cc(ccc1Br)F 34a_100000742738_100000211926 [0,2,0,0,0,0|2,0,0]=4 24956 B13R1.656 OCCNCc1cc(ccc1Br)F 34a_100016990907_100000736370 [0,2,0,0,0,0|2,0,0]=4 24957 B13R1.656 OCCNCc1cc(ccc1Br)I 207a_100000210304_100010185652 [0,2,0,0,0,0|2,0,0]=4 24958 B13R1.656 OCCNCc1cc(ccc1Br)I 2230a_100016997473_100012355412 [0,2,0,0,0,0|2,0,0]=4 24959 B13R1.656 OCCNCc1cc(ccc1Br)I 34a_100016990907_100012355412 [0,2,0,0,0,0|2,0,0]=4 24960 B13R1.656 OCCNCc1cc(ccc1Cl)Br 207a_100000210304_100000746309 [0,2,0,0,0,0|2,0,0]=4 24961 B13R1.656 OCCNCc1cc(ccc1Cl)Br 2230a_100016997473_100000763347 [0,2,0,0,0,0|2,0,0]=4 24962 B13R1.656 OCCNCc1cc(ccc1Cl)Br 270004a_100000210304_100000746309 [0,2,0,0,0,0|2,0,0]=4 24963 B13R1.656 OCCNCc1cc(ccc1Cl)Br 34a_100016990907_100000763347 [0,2,0,0,0,0|2,0,0]=4 24964 B13R1.656 OCCNCc1cc(ccc1Cl)Br 34a_100025772652_100000211926 [0,2,0,0,0,0|2,0,0]=4 24965 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 207a_100000210304_100000746308 [0,2,0,0,0,0|2,0,0]=4 24966 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 2230a_100016997473_100000756322 [0,2,0,0,0,0|2,0,0]=4 24967 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 270004a_100000210304_100000746308 [0,2,0,0,0,0|2,0,0]=4 24968 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 34a_100016990907_100000756322 [0,2,0,0,0,0|2,0,0]=4 24969 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000211926 [0,2,0,0,0,0|2,0,0]=4 24970 B13R1.656 OCCNCc1cc(ccc1Cl)F 207a_100000210304_100011218309 [0,2,0,0,0,0|2,0,0]=4 24971 B13R1.656 OCCNCc1cc(ccc1Cl)F 2230a_100011830483_100000211926 [0,2,0,0,0,0|2,0,0]=4 24972 B13R1.656 OCCNCc1cc(ccc1Cl)F 2230a_100016997473_100000709952 [0,2,0,0,0,0|2,0,0]=4 24973 B13R1.656 OCCNCc1cc(ccc1Cl)F 270004a_100000210304_100011218309 [0,2,0,0,0,0|2,0,0]=4 24974 B13R1.656 OCCNCc1cc(ccc1Cl)F 34a_100011830483_100000211926 [0,2,0,0,0,0|2,0,0]=4 24975 B13R1.656 OCCNCc1cc(ccc1Cl)F 34a_100016990907_100000709952 [0,2,0,0,0,0|2,0,0]=4 24976 B13R1.656 OCCNCc1cc(ccc1Cl)I 207a_100000210304_100010254384 [0,2,0,0,0,0|2,0,0]=4 24977 B13R1.656 OCCNCc1cc(ccc1Cl)I 2230a_100016997473_100010188191 [0,2,0,0,0,0|2,0,0]=4 24978 B13R1.656 OCCNCc1cc(ccc1Cl)I 34a_100016990907_100010188191 [0,2,0,0,0,0|2,0,0]=4 24979 B13R1.656 OCCNCc1cc(ccc1F)Br 207a_100000210304_100000211465 [0,2,0,0,0,0|2,0,0]=4 24980 B13R1.656 OCCNCc1cc(ccc1F)Br 2230a_100016997473_100000736399 [0,2,0,0,0,0|2,0,0]=4 24981 B13R1.656 OCCNCc1cc(ccc1F)Br 270004a_100000210304_100000211465 [0,2,0,0,0,0|2,0,0]=4 24982 B13R1.656 OCCNCc1cc(ccc1F)Br 34a_100009815772_100000211926 [0,2,0,0,0,0|2,0,0]=4 24983 B13R1.656 OCCNCc1cc(ccc1F)Br 34a_100016990907_100000736399 [0,2,0,0,0,0|2,0,0]=4 24984 B13R1.656 OCCNCc1cc(ccc1F)Cl 207a_100000210304_100000745245 [0,2,0,0,0,0|2,0,0]=4 24985 B13R1.656 OCCNCc1cc(ccc1F)Cl 2230a_100016997473_100000716957 [0,2,0,0,0,0|2,0,0]=4 24986 B13R1.656 OCCNCc1cc(ccc1F)Cl 270004a_100000210304_100000745245 [0,2,0,0,0,0|2,0,0]=4 24987 B13R1.656 OCCNCc1cc(ccc1F)Cl 34a_100011211646_100000211926 [0,2,0,0,0,0|2,0,0]=4 24988 B13R1.656 OCCNCc1cc(ccc1F)Cl 34a_100016990907_100000716957 [0,2,0,0,0,0|2,0,0]=4 24989 B13R1.656 OCCNCc1cc(ccc1F)F 207a_100000210304_100000740046 [0,2,0,0,0,0|2,0,0]=4 24990 B13R1.656 OCCNCc1cc(ccc1F)F 2230a_100016997473_100000741279 [0,2,0,0,0,0|2,0,0]=4 24991 B13R1.656 OCCNCc1cc(ccc1F)F 270004a_100000210304_100000740046 [0,2,0,0,0,0|2,0,0]=4 24992 B13R1.656 OCCNCc1cc(ccc1F)F 34a_100000752317_100000211926 [0,2,0,0,0,0|2,0,0]=4 24993 B13R1.656 OCCNCc1cc(ccc1F)F 34a_100016990907_100000741279 [0,2,0,0,0,0|2,0,0]=4 24994 B13R1.656 OCCNCc1cc(ccc1F)I 207a_100000210304_100000050626 [0,2,0,0,0,0|2,0,0]=4 24995 B13R1.656 OCCNCc1cc(ccc1F)I 2230a_100016997473_200010149601 [0,2,0,0,0,0|2,0,0]=4 24996 B13R1.656 OCCNCc1cc(ccc1F)I 34a_100016990907_200010149601 [0,2,0,0,0,0|2,0,0]=4 24997 B13R1.656 OCCNCc1cc(ccc1I)Br 207a_100000210304_100010185651 [0,2,0,0,0,0|2,0,0]=4 24998 B13R1.656 OCCNCc1cc(ccc1I)Br 2230a_100016997473_100012362523 [0,2,0,0,0,0|2,0,0]=4 24999 B13R1.656 OCCNCc1cc(ccc1I)Br 270004a_100000210304_100010185651 [0,2,0,0,0,0|2,0,0]=4 25000 B13R1.656 OCCNCc1cc(ccc1I)Br 34a_100016990907_100012362523 [0,2,0,0,0,0|2,0,0]=4 25001 B13R1.656 OCCNCc1cc(ccc1I)Cl 207a_100000210304_100010254386 [0,2,0,0,0,0|2,0,0]=4 25002 B13R1.656 OCCNCc1cc(ccc1I)Cl 2230a_100016997473_100012348826 [0,2,0,0,0,0|2,0,0]=4 25003 B13R1.656 OCCNCc1cc(ccc1I)Cl 270004a_100000210304_100010254386 [0,2,0,0,0,0|2,0,0]=4 25004 B13R1.656 OCCNCc1cc(ccc1I)Cl 34a_100016990907_100012348826 [0,2,0,0,0,0|2,0,0]=4 25005 B13R1.656 OCCNCc1cc(ccc1I)F 207a_100000210304_100010186294 [0,2,0,0,0,0|2,0,0]=4 25006 B13R1.656 OCCNCc1cc(ccc1I)F 2230a_100016997473_100010149606 [0,2,0,0,0,0|2,0,0]=4 25007 B13R1.656 OCCNCc1cc(ccc1I)F 270004a_100000210304_100010186294 [0,2,0,0,0,0|2,0,0]=4 25008 B13R1.656 OCCNCc1cc(ccc1I)F 34a_100016990907_100010149606 [0,2,0,0,0,0|2,0,0]=4 25009 B13R1.656 OCCNCc1cc(ccc1O)Br 34a_100000730032_100000211926 [0,2,0,0,0,0|2,0,0]=4 25010 B13R1.656 OCCNCc1cc(ccc1O)Cl 34a_100000238540_100000211926 [0,2,0,0,0,0|2,0,0]=4 25011 B13R1.656 OCCNCc1cc(ccc1O)F 34a_100016990907_100010161318 [0,2,0,0,0,0|2,0,0]=4 25012 B13R1.656 OCCOCc1cc(ccc1Br)Br 34a_100011266457_100000211926 [0,2,0,0,0,0|2,0,0]=4 25013 B13R1.656 OCCOCc1cc(ccc1Br)Br 7a_100011266457_100000211926 [0,2,0,0,0,0|2,0,0]=4 25014 B13R1.656 OCCOCc1cc(ccc1Br)Cl 34a_100012355668_100000211926 [0,2,0,0,0,0|2,0,0]=4 25015 B13R1.656 OCCOCc1cc(ccc1Br)Cl 7a_100012355668_100000211926 [0,2,0,0,0,0|2,0,0]=4 25016 B13R1.656 OCCOCc1cc(ccc1Br)F 34a_100011217561_100000211926 [0,2,0,0,0,0|2,0,0]=4 25017 B13R1.656 OCCOCc1cc(ccc1Br)F 7a_100011217561_100000211926 [0,2,0,0,0,0|2,0,0]=4 25018 B13R1.656 OCCOCc1cc(ccc1Br)I 7a_100012359683_100000211926 [0,2,0,0,0,0|2,0,0]=4 25019 B13R1.656 OCCOCc1cc(ccc1Cl)Br 34a_100011215897_100000211926 [0,2,0,0,0,0|2,0,0]=4 25020 B13R1.656 OCCOCc1cc(ccc1Cl)Br 7a_100011215897_100000211926 [0,2,0,0,0,0|2,0,0]=4 25021 B13R1.656 OCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000211926 [0,2,0,0,0,0|2,0,0]=4 25022 B13R1.656 OCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000211926 [0,2,0,0,0,0|2,0,0]=4 25023 B13R1.656 OCCOCc1cc(ccc1Cl)F 34a_100011218361_100000211926 [0,2,0,0,0,0|2,0,0]=4 25024 B13R1.656 OCCOCc1cc(ccc1Cl)F 7a_100011218361_100000211926 [0,2,0,0,0,0|2,0,0]=4 25025 B13R1.656 OCCOCc1cc(ccc1Cl)I 34a_100010128486_100000211926 [0,2,0,0,0,0|2,0,0]=4 25026 B13R1.656 OCCOCc1cc(ccc1Cl)I 7a_100010128486_100000211926 [0,2,0,0,0,0|2,0,0]=4 25027 B13R1.656 OCCOCc1cc(ccc1F)Br 34a_100000246282_100000211926 [0,2,0,0,0,0|2,0,0]=4 25028 B13R1.656 OCCOCc1cc(ccc1F)Br 7a_100000246282_100000211926 [0,2,0,0,0,0|2,0,0]=4 25029 B13R1.656 OCCOCc1cc(ccc1F)Cl 34a_100011217248_100000211926 [0,2,0,0,0,0|2,0,0]=4 25030 B13R1.656 OCCOCc1cc(ccc1F)Cl 7a_100011217248_100000211926 [0,2,0,0,0,0|2,0,0]=4 25031 B13R1.656 OCCOCc1cc(ccc1F)F 34a_100011217725_100000211926 [0,2,0,0,0,0|2,0,0]=4 25032 B13R1.656 OCCOCc1cc(ccc1F)F 7a_100011217725_100000211926 [0,2,0,0,0,0|2,0,0]=4 25033 B13R1.656 OCCOCc1cc(ccc1F)I 34a_100000049604_100000211926 [0,2,0,0,0,0|2,0,0]=4 25034 B13R1.656 OCCOCc1cc(ccc1F)I 7a_100000049604_100000211926 [0,2,0,0,0,0|2,0,0]=4 25035 B13R1.656 OCCOCc1cc(ccc1I)Br 34a_100011356890_100000211926 [0,2,0,0,0,0|2,0,0]=4 25036 B13R1.656 OCCOCc1cc(ccc1I)Br 7a_100011356890_100000211926 [0,2,0,0,0,0|2,0,0]=4 25037 B13R1.656 OCCOCc1cc(ccc1I)F 34a_100010255287_100000211926 [0,2,0,0,0,0|2,0,0]=4 25038 B13R1.656 OCCOCc1cc(ccc1I)F 7a_100010255287_100000211926 [0,2,0,0,0,0|2,0,0]=4 25039 B13R1.656 OCCSCc1cc(ccc1Br)Br 62a_100000211926_100011982794 [0,2,0,0,0,0|2,0,0]=4 25040 B13R1.656 OCCSCc1cc(ccc1Br)Br 62a_100011982794_100000211926 [0,2,0,0,0,0|2,0,0]=4 25041 B13R1.656 OCCSCc1cc(ccc1Br)Cl 62a_100000211926_100000733903 [0,2,0,0,0,0|2,0,0]=4 25042 B13R1.656 OCCSCc1cc(ccc1Br)Cl 62a_100000733903_100000211926 [0,2,0,0,0,0|2,0,0]=4 25043 B13R1.656 OCCSCc1cc(ccc1Br)F 62a_100000211926_100000736370 [0,2,0,0,0,0|2,0,0]=4 25044 B13R1.656 OCCSCc1cc(ccc1Br)F 62a_100000736370_100000211926 [0,2,0,0,0,0|2,0,0]=4 25045 B13R1.656 OCCSCc1cc(ccc1Br)I 62a_100000211926_100012355412 [0,2,0,0,0,0|2,0,0]=4 25046 B13R1.656 OCCSCc1cc(ccc1Br)I 62a_100012355412_100000211926 [0,2,0,0,0,0|2,0,0]=4 25047 B13R1.656 OCCSCc1cc(ccc1Cl)Br 62a_100000211926_100000763347 [0,2,0,0,0,0|2,0,0]=4 25048 B13R1.656 OCCSCc1cc(ccc1Cl)Br 62a_100000763347_100000211926 [0,2,0,0,0,0|2,0,0]=4 25049 B13R1.656 OCCSCc1cc(ccc1Cl)Cl 62a_100000211926_100000756322 [0,2,0,0,0,0|2,0,0]=4 25050 B13R1.656 OCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000211926 [0,2,0,0,0,0|2,0,0]=4 25051 B13R1.656 OCCSCc1cc(ccc1Cl)F 62a_100000211926_100000709952 [0,2,0,0,0,0|2,0,0]=4 25052 B13R1.656 OCCSCc1cc(ccc1Cl)F 62a_100000709952_100000211926 [0,2,0,0,0,0|2,0,0]=4 25053 B13R1.656 OCCSCc1cc(ccc1Cl)I 62a_100000211926_100010188191 [0,2,0,0,0,0|2,0,0]=4 25054 B13R1.656 OCCSCc1cc(ccc1Cl)I 62a_100010188191_100000211926 [0,2,0,0,0,0|2,0,0]=4 25055 B13R1.656 OCCSCc1cc(ccc1F)Br 62a_100000211926_100000736399 [0,2,0,0,0,0|2,0,0]=4 25056 B13R1.656 OCCSCc1cc(ccc1F)Br 62a_100000736399_100000211926 [0,2,0,0,0,0|2,0,0]=4 25057 B13R1.656 OCCSCc1cc(ccc1F)Cl 62a_100000211926_100000716957 [0,2,0,0,0,0|2,0,0]=4 25058 B13R1.656 OCCSCc1cc(ccc1F)Cl 62a_100000716957_100000211926 [0,2,0,0,0,0|2,0,0]=4 25059 B13R1.656 OCCSCc1cc(ccc1F)F 62a_100000211926_100000685659 [0,2,0,0,0,0|2,0,0]=4 25060 B13R1.656 OCCSCc1cc(ccc1F)F 62a_100000685659_100000211926 [0,2,0,0,0,0|2,0,0]=4 25061 B13R1.656 OCCSCc1cc(ccc1F)I 62a_100000211926_200010149601 [0,2,0,0,0,0|2,0,0]=4 25062 B13R1.656 OCCSCc1cc(ccc1F)I 62a_200010149601_100000211926 [0,2,0,0,0,0|2,0,0]=4 25063 B13R1.656 OCCSCc1cc(ccc1I)Br 62a_100000211926_100012362523 [0,2,0,0,0,0|2,0,0]=4 25064 B13R1.656 OCCSCc1cc(ccc1I)Br 62a_100012362523_100000211926 [0,2,0,0,0,0|2,0,0]=4 25065 B13R1.656 OCCSCc1cc(ccc1I)Cl 62a_100000211926_100012348826 [0,2,0,0,0,0|2,0,0]=4 25066 B13R1.656 OCCSCc1cc(ccc1I)Cl 62a_100012348826_100000211926 [0,2,0,0,0,0|2,0,0]=4 25067 B13R1.656 OCCSCc1cc(ccc1I)F 62a_100000211926_100010149606 [0,2,0,0,0,0|2,0,0]=4 25068 B13R1.656 OCCSCc1cc(ccc1I)F 62a_100010149606_100000211926 [0,2,0,0,0,0|2,0,0]=4 25069 B13R1.656 OCCSCc1cc(ccc1O)F 62a_100000211926_100010161318 [0,2,0,0,0,0|2,0,0]=4 25070 B13R1.656 OCCSCc1cc(ccc1O)F 62a_100010161318_100000211926 [0,2,0,0,0,0|2,0,0]=4 25071 B13R1.656 Oc1ccc(c(c1)NCCCF)Br 34a_100011999798_100011934791 [0,2,0,0,0,0|2,0,0]=4 25072 B13R1.656 Oc1ccc(c(c1)NCCCF)Cl 34a_100011934297_100011934791 [0,2,0,0,0,0|2,0,0]=4 25073 B13R1.656 Oc1ccc(c(c1)NCCCF)F 34a_100012017239_100011934791 [0,2,0,0,0,0|2,0,0]=4 25074 B13R1.656 Oc1ccc(c(c1)SCCCF)Br 62a_100011934791_100012339312 [0,2,0,0,0,0|2,0,0]=4 25075 B13R1.656 Oc1ccc(c(c1)SCCCF)Br 62a_100012339312_100011934791 [0,2,0,0,0,0|2,0,0]=4 25076 B13R1.656 Oc1ccc(c(c1)SCCCF)Cl 62a_100000049588_100011934791 [0,2,0,0,0,0|2,0,0]=4 25077 B13R1.656 Oc1ccc(c(c1)SCCCF)Cl 62a_100011934791_100000049588 [0,2,0,0,0,0|2,0,0]=4 25078 B13R1.656 Oc1ccc(c(c1)SCCCF)F 62a_100000693481_100011934791 [0,2,0,0,0,0|2,0,0]=4 25079 B13R1.656 Oc1ccc(c(c1)SCCCF)F 62a_100011934791_100000693481 [0,2,0,0,0,0|2,0,0]=4 25080 B13R1.656 Oc1ccc(c(c1)SCCCF)O 62a_100011934791_100009813629 [0,2,0,0,0,0|2,0,0]=4 25081 B13R1.656 Oc1ccc(cc1CNCCF)Br 34a_100000730032_100011217306 [0,2,0,0,0,0|2,0,0]=4 25082 B13R1.656 Oc1ccc(cc1CNCCF)Cl 34a_100000238540_100011217306 [0,2,0,0,0,0|2,0,0]=4 25083 B13R1.656 Oc1ccc(cc1CNCCF)F 34a_100000724931_100010161318 [0,2,0,0,0,0|2,0,0]=4 25084 B13R1.656 Oc1ccc(cc1COCCBr)F 34a_100000211926_100010161318 [0,2,0,0,0,0|2,0,0]=4 25085 B13R1.656 Oc1ccc(cc1CSCCF)F 62a_100010161318_100011217306 [0,2,0,0,0,0|2,0,0]=4 25086 B13R1.656 Oc1ccc(cc1CSCCF)F 62a_100011217306_100010161318 [0,2,0,0,0,0|2,0,0]=4 25087 B13R1.656 Oc1ccc(cc1NCCCF)Br 34a_100000752626_100011934791 [0,2,0,0,0,0|2,0,0]=4 25088 B13R1.656 Oc1ccc(cc1NCCCF)Cl 34a_100000210500_100011934791 [0,2,0,0,0,0|2,0,0]=4 25089 B13R1.656 Oc1ccc(cc1NCCCF)F 34a_100000759472_100011934791 [0,2,0,0,0,0|2,0,0]=4 25090 B13R1.656 Oc1ccc(cc1SCCCF)Br 62a_100011934791_100012355227 [0,2,0,0,0,0|2,0,0]=4 25091 B13R1.656 Oc1ccc(cc1SCCCF)Br 62a_100012355227_100011934791 [0,2,0,0,0,0|2,0,0]=4 25092 B13R1.656 Oc1ccc(cc1SCCCF)Cl 62a_100011356953_100011934791 [0,2,0,0,0,0|2,0,0]=4 25093 B13R1.656 Oc1ccc(cc1SCCCF)Cl 62a_100011934791_100011356953 [0,2,0,0,0,0|2,0,0]=4 25094 B13R1.656 Oc1ccc(cc1SCCCF)F 62a_100000211999_100011934791 [0,2,0,0,0,0|2,0,0]=4 25095 B13R1.656 Oc1ccc(cc1SCCCF)F 62a_100011934791_100000211999 [0,2,0,0,0,0|2,0,0]=4 25096 B13R1.666 C#Cc1cccc(c1)CNCCC 207a_100020643023_100011361529 [0,2,0,0,0,0|2,0,0]=4 25097 B13R1.666 C#Cc1cccc(c1)CNCCO 207a_100000210304_100011361529 [0,2,0,0,0,0|2,0,0]=4 25098 B13R1.666 C#Cc1cccc(c1)COCCC 34a_100010272118_100000210303 [0,2,0,0,0,0|2,0,0]=4 25099 B13R1.666 C#Cc1cccc(c1)COCCC 7a_100010272118_100000210303 [0,2,0,0,0,0|2,0,0]=4 25100 B13R1.666 C#Cc1cccc(c1)COCCF 34a_100010272118_100011217306 [0,2,0,0,0,0|2,0,0]=4 25101 B13R1.666 C#Cc1cccc(c1)COCCF 7a_100010272118_100011217306 [0,2,0,0,0,0|2,0,0]=4 25102 B13R1.666 C#Cc1cccc(c1)COCCO 34a_100010272118_100000211926 [0,2,0,0,0,0|2,0,0]=4 25103 B13R1.666 C#Cc1cccc(c1)COCCO 7a_100010272118_100000211926 [0,2,0,0,0,0|2,0,0]=4 25104 B13R1.666 C#Cc1cccc(c1)NCCCC 2230a_100000735509_100000210211 [0,2,0,0,0,0|2,0,0]=4 25105 B13R1.666 C#Cc1cccc(c1)NCCCC 34a_100000735509_100000210210 [0,2,0,0,0,0|2,0,0]=4 25106 B13R1.666 C#Cc1cccc(c1)NCCCF 2230a_100000735509_100011934791 [0,2,0,0,0,0|2,0,0]=4 25107 B13R1.666 C#Cc1cccc(c1)NCCCF 34a_100000735509_100011934791 [0,2,0,0,0,0|2,0,0]=4 25108 B13R1.666 C#Cc1cccc(c1)NCCCO 2230a_100000735509_100000230001 [0,2,0,0,0,0|2,0,0]=4 25109 B13R1.666 C#Cc1cccc(c1)NCCCO 34a_100000735509_100000230001 [0,2,0,0,0,0|2,0,0]=4 25110 B13R1.666 C#Cc1cccc(c1)OCCCC 34a_100011216014_100000210210 [0,2,0,0,0,0|2,0,0]=4 25111 B13R1.666 C#Cc1cccc(c1)OCCCC 7a_100011216014_100000210211 [0,2,0,0,0,0|2,0,0]=4 25112 B13R1.666 C#Cc1cccc(c1)OCCCF 34a_100011216014_100011934791 [0,2,0,0,0,0|2,0,0]=4 25113 B13R1.666 C#Cc1cccc(c1)OCCCF 7a_100011216014_100011934791 [0,2,0,0,0,0|2,0,0]=4 25114 B13R1.666 C#Cc1cccc(c1)OCCCO 34a_100011216014_100000230001 [0,2,0,0,0,0|2,0,0]=4 25115 B13R1.666 C#Cc1cccc(c1)OCCCO 7a_100011216014_100011215043 [0,2,0,0,0,0|2,0,0]=4 25116 B13R1.666 C=Cc1cccc(c1)CNCCC 270004a_100020643023_100011218069 [0,2,0,0,0,0|2,0,0]=4 25117 B13R1.666 C=Cc1cccc(c1)CNCCC 271570a_100011290941_100015184641 [0,2,0,0,0,0|2,0,0]=4 25118 B13R1.666 C=Cc1cccc(c1)CNCCO 270004a_100000210304_100011218069 [0,2,0,0,0,0|2,0,0]=4 25119 B13R1.666 C=Cc1cccc(c1)NCCCC 34a_100011827668_100000210210 [0,2,0,0,0,0|2,0,0]=4 25120 B13R1.666 C=Cc1cccc(c1)NCCCF 34a_100011827668_100011934791 [0,2,0,0,0,0|2,0,0]=4 25121 B13R1.666 C=Cc1cccc(c1)NCCCO 34a_100011827668_100000230001 [0,2,0,0,0,0|2,0,0]=4 25122 B13R1.666 C=Cc1cccc(c1)OCCCC 271570a_100011290941_200011212284 [0,2,0,0,0,0|2,0,0]=4 25123 B13R1.666 C=Cc1cccc(c1)OCCCC 34a_100011309434_100000210210 [0,2,0,0,0,0|2,0,0]=4 25124 B13R1.666 C=Cc1cccc(c1)OCCCC 7a_100011309434_100000210211 [0,2,0,0,0,0|2,0,0]=4 25125 B13R1.666 C=Cc1cccc(c1)OCCCF 34a_100011309434_100011934791 [0,2,0,0,0,0|2,0,0]=4 25126 B13R1.666 C=Cc1cccc(c1)OCCCF 7a_100011309434_100011934791 [0,2,0,0,0,0|2,0,0]=4 25127 B13R1.666 C=Cc1cccc(c1)OCCCO 34a_100011309434_100000230001 [0,2,0,0,0,0|2,0,0]=4 25128 B13R1.666 C=Cc1cccc(c1)OCCCO 7a_100011309434_100011215043 [0,2,0,0,0,0|2,0,0]=4 25129 B13R1.666 C=Cc1cccc(c1)SCCCC 271570a_100011290941_100010128134 [0,2,0,0,0,0|2,0,0]=4 25130 B13R1.666 C=Cc1cccc(c1)SCCCC 62a_100000210211_100011215241 [0,2,0,0,0,0|2,0,0]=4 25131 B13R1.666 C=Cc1cccc(c1)SCCCC 62a_100011215241_100000210210 [0,2,0,0,0,0|2,0,0]=4 25132 B13R1.666 C=Cc1cccc(c1)SCCCF 62a_100011215241_100011934791 [0,2,0,0,0,0|2,0,0]=4 25133 B13R1.666 C=Cc1cccc(c1)SCCCF 62a_100011934791_100011215241 [0,2,0,0,0,0|2,0,0]=4 25134 B13R1.666 C=Cc1cccc(c1)SCCCO 62a_100011215043_100011215241 [0,2,0,0,0,0|2,0,0]=4 25135 B13R1.666 C=Cc1cccc(c1)SCCCO 62a_100011215241_100011215043 [0,2,0,0,0,0|2,0,0]=4 25136 B13R1.666 CCCCNc1cccc(c1)C#N 34a_100000210922_100000210210 [0,2,0,0,0,0|2,0,0]=4 25137 B13R1.666 CCCCNc1cccc(c1)C#N 7a_100000210922_100000210211 [0,2,0,0,0,0|2,0,0]=4 25138 B13R1.666 CCCCNc1cccc(c1)CC 2230a_100000211250_100000210211 [0,2,0,0,0,0|2,0,0]=4 25139 B13R1.666 CCCCNc1cccc(c1)CC 34a_100000211250_100000210210 [0,2,0,0,0,0|2,0,0]=4 25140 B13R1.666 CCCCNc1cccc(c1)CC 7a_100000211250_100000210211 [0,2,0,0,0,0|2,0,0]=4 25141 B13R1.666 CCCCNc1cccc(c1)CF 2230a_100000126320_100000210211 [0,2,0,0,0,0|2,0,0]=4 25142 B13R1.666 CCCCNc1cccc(c1)CF 34a_100000126320_100000210210 [0,2,0,0,0,0|2,0,0]=4 25143 B13R1.666 CCCCNc1cccc(c1)CF 7a_100000126320_100000210211 [0,2,0,0,0,0|2,0,0]=4 25144 B13R1.666 CCCCNc1cccc(c1)CO 2230a_100000211919_100000210211 [0,2,0,0,0,0|2,0,0]=4 25145 B13R1.666 CCCCNc1cccc(c1)CO 34a_100000211919_100000210210 [0,2,0,0,0,0|2,0,0]=4 25146 B13R1.666 CCCCNc1cccc(c1)OC 34a_100000210024_100000210210 [0,2,0,0,0,0|2,0,0]=4 25147 B13R1.666 CCCCNc1cccc(c1)SC 2230a_100000210049_100000210211 [0,2,0,0,0,0|2,0,0]=4 25148 B13R1.666 CCCCNc1cccc(c1)SC 34a_100000210049_100000210210 [0,2,0,0,0,0|2,0,0]=4 25149 B13R1.666 CCCCOc1cccc(c1)C#N 34a_100000184713_100000210210 [0,2,0,0,0,0|2,0,0]=4 25150 B13R1.666 CCCCOc1cccc(c1)C#N 7a_100000184713_100000210211 [0,2,0,0,0,0|2,0,0]=4 25151 B13R1.666 CCCCOc1cccc(c1)CBr 34a_100011660834_100000210210 [0,2,0,0,0,0|2,0,0]=4 25152 B13R1.666 CCCCOc1cccc(c1)CBr 7a_100011660834_100000210211 [0,2,0,0,0,0|2,0,0]=4 25153 B13R1.666 CCCCOc1cccc(c1)CC 34a_100000211550_100000210210 [0,2,0,0,0,0|2,0,0]=4 25154 B13R1.666 CCCCOc1cccc(c1)CC 7a_100000211550_100000210211 [0,2,0,0,0,0|2,0,0]=4 25155 B13R1.666 CCCCOc1cccc(c1)CCl 34a_100000084143_100000210210 [0,2,0,0,0,0|2,0,0]=4 25156 B13R1.666 CCCCOc1cccc(c1)CCl 7a_100000084143_100000210211 [0,2,0,0,0,0|2,0,0]=4 25157 B13R1.666 CCCCOc1cccc(c1)CN 34a_100000743036_100000210210 [0,2,0,0,0,0|2,0,0]=4 25158 B13R1.666 CCCCOc1cccc(c1)CO 34a_100011214949_100000210210 [0,2,0,0,0,0|2,0,0]=4 25159 B13R1.666 CCCCOc1cccc(c1)CO 7a_100011214949_100000210211 [0,2,0,0,0,0|2,0,0]=4 25160 B13R1.666 CCCCOc1cccc(c1)NC 2230a_100000744072_200000210301 [0,2,0,0,0,0|2,0,0]=4 25161 B13R1.666 CCCCOc1cccc(c1)NC 34a_100000744072_200000210301 [0,2,0,0,0,0|2,0,0]=4 25162 B13R1.666 CCCCOc1cccc(c1)NC 34a_100000756613_100000210210 [0,2,0,0,0,0|2,0,0]=4 25163 B13R1.666 CCCCOc1cccc(c1)NC 7a_100000744072_200000210301 [0,2,0,0,0,0|2,0,0]=4 25164 B13R1.666 CCCCOc1cccc(c1)NC 7a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 25165 B13R1.666 CCCCOc1cccc(c1)N[13CH3] 2230a_100000744072_200025704644 [0,2,0,0,0,0|2,0,0]=4 25166 B13R1.666 CCCCOc1cccc(c1)N[13CH3] 34a_100000744072_200025704644 [0,2,0,0,0,0|2,0,0]=4 25167 B13R1.666 CCCCOc1cccc(c1)N[13CH3] 7a_100000744072_200025704644 [0,2,0,0,0,0|2,0,0]=4 25168 B13R1.666 CCCCOc1cccc(c1)OC 34a_100000211255_100000210210 [0,2,0,0,0,0|2,0,0]=4 25169 B13R1.666 CCCCOc1cccc(c1)OC 34a_100011216386_200000210301 [0,2,0,0,0,0|2,0,0]=4 25170 B13R1.666 CCCCOc1cccc(c1)OC 7a_100000211255_100000210211 [0,2,0,0,0,0|2,0,0]=4 25171 B13R1.666 CCCCOc1cccc(c1)OC 7a_100011216386_200000210301 [0,2,0,0,0,0|2,0,0]=4 25172 B13R1.666 CCCCOc1cccc(c1)O[13CH3] 34a_100011216386_200025704644 [0,2,0,0,0,0|2,0,0]=4 25173 B13R1.666 CCCCOc1cccc(c1)O[13CH3] 7a_100011216386_200025704644 [0,2,0,0,0,0|2,0,0]=4 25174 B13R1.666 CCCCOc1cccc(c1)SC 34a_100011265683_100000210210 [0,2,0,0,0,0|2,0,0]=4 25175 B13R1.666 CCCCOc1cccc(c1)SC 62a_200000210301_200011212284 [0,2,0,0,0,0|2,0,0]=4 25176 B13R1.666 CCCCOc1cccc(c1)SC 7a_100011265683_100000210211 [0,2,0,0,0,0|2,0,0]=4 25177 B13R1.666 CCCCOc1cccc(c1)S[13CH3] 62a_200025704644_200011212284 [0,2,0,0,0,0|2,0,0]=4 25178 B13R1.666 CCCCSc1cccc(c1)C#N 62a_100000210211_100000189340 [0,2,0,0,0,0|2,0,0]=4 25179 B13R1.666 CCCCSc1cccc(c1)C=O 62a_100000014684_100000210210 [0,2,0,0,0,0|2,0,0]=4 25180 B13R1.666 CCCCSc1cccc(c1)C=O 62a_100000210211_100000014684 [0,2,0,0,0,0|2,0,0]=4 25181 B13R1.666 CCCCSc1cccc(c1)CC 62a_100000210211_100011263222 [0,2,0,0,0,0|2,0,0]=4 25182 B13R1.666 CCCCSc1cccc(c1)CC 62a_100011263222_100000210210 [0,2,0,0,0,0|2,0,0]=4 25183 B13R1.666 CCCCSc1cccc(c1)CF 62a_100000210211_100010878472 [0,2,0,0,0,0|2,0,0]=4 25184 B13R1.666 CCCCSc1cccc(c1)CF 62a_100010878472_100000210210 [0,2,0,0,0,0|2,0,0]=4 25185 B13R1.666 CCCCSc1cccc(c1)CN 62a_100000106179_100000210210 [0,2,0,0,0,0|2,0,0]=4 25186 B13R1.666 CCCCSc1cccc(c1)CN 62a_100000210211_100000106179 [0,2,0,0,0,0|2,0,0]=4 25187 B13R1.666 CCCCSc1cccc(c1)CO 62a_100000210211_100000687537 [0,2,0,0,0,0|2,0,0]=4 25188 B13R1.666 CCCCSc1cccc(c1)CO 62a_100000687537_100000210210 [0,2,0,0,0,0|2,0,0]=4 25189 B13R1.666 CCCCSc1cccc(c1)NC 62a_100000210211_100000219648 [0,2,0,0,0,0|2,0,0]=4 25190 B13R1.666 CCCCSc1cccc(c1)NC 62a_100000219648_100000210210 [0,2,0,0,0,0|2,0,0]=4 25191 B13R1.666 CCCCSc1cccc(c1)NN 62a_100000210211_100000217339 [0,2,0,0,0,0|2,0,0]=4 25192 B13R1.666 CCCCSc1cccc(c1)NN 62a_100000217339_100000210210 [0,2,0,0,0,0|2,0,0]=4 25193 B13R1.666 CCCCSc1cccc(c1)OC 62a_100000210211_100000170001 [0,2,0,0,0,0|2,0,0]=4 25194 B13R1.666 CCCCSc1cccc(c1)SC 62a_100000210211_100011215954 [0,2,0,0,0,0|2,0,0]=4 25195 B13R1.666 CCCCSc1cccc(c1)SC 62a_100010128134_200000210301 [0,2,0,0,0,0|2,0,0]=4 25196 B13R1.666 CCCCSc1cccc(c1)SC 62a_100011215954_100000210210 [0,2,0,0,0,0|2,0,0]=4 25197 B13R1.666 CCCCSc1cccc(c1)SC 62a_200000210301_100010128134 [0,2,0,0,0,0|2,0,0]=4 25198 B13R1.666 CCCCSc1cccc(c1)S[13CH3] 62a_100010128134_200025704644 [0,2,0,0,0,0|2,0,0]=4 25199 B13R1.666 CCCCSc1cccc(c1)S[13CH3] 62a_200025704644_100010128134 [0,2,0,0,0,0|2,0,0]=4 25200 B13R1.666 CCCNCc1cccc(c1)C#N 207a_100020643023_100000241001 [0,2,0,0,0,0|2,0,0]=4 25201 B13R1.666 CCCNCc1cccc(c1)C#N 270004a_100020643023_100000241001 [0,2,0,0,0,0|2,0,0]=4 25202 B13R1.666 CCCNCc1cccc(c1)C#N 34a_100000755147_100000210303 [0,2,0,0,0,0|2,0,0]=4 25203 B13R1.666 CCCNCc1cccc(c1)CC 207a_100020643023_100011999841 [0,2,0,0,0,0|2,0,0]=4 25204 B13R1.666 CCCNCc1cccc(c1)CC 270004a_100020643023_100011999841 [0,2,0,0,0,0|2,0,0]=4 25205 B13R1.666 CCCNCc1cccc(c1)CO 207a_100020643023_200000050894 [0,2,0,0,0,0|2,0,0]=4 25206 B13R1.666 CCCNCc1cccc(c1)CO 2230a_100011269909_100000210303 [0,2,0,0,0,0|2,0,0]=4 25207 B13R1.666 CCCNCc1cccc(c1)CO 270004a_100020643023_200000050894 [0,2,0,0,0,0|2,0,0]=4 25208 B13R1.666 CCCNCc1cccc(c1)CO 34a_100011269909_100000210303 [0,2,0,0,0,0|2,0,0]=4 25209 B13R1.666 CCCNCc1cccc(c1)OC 207a_100020643023_100000170238 [0,2,0,0,0,0|2,0,0]=4 25210 B13R1.666 CCCNCc1cccc(c1)OC 2230a_100000174954_100000210303 [0,2,0,0,0,0|2,0,0]=4 25211 B13R1.666 CCCNCc1cccc(c1)OC 270004a_100020643023_100000170238 [0,2,0,0,0,0|2,0,0]=4 25212 B13R1.666 CCCNCc1cccc(c1)OC 34a_100000174954_100000210303 [0,2,0,0,0,0|2,0,0]=4 25213 B13R1.666 CCCNCc1cccc(c1)SC 207a_100020643023_100011935093 [0,2,0,0,0,0|2,0,0]=4 25214 B13R1.666 CCCNCc1cccc(c1)SC 270004a_100020643023_100011935093 [0,2,0,0,0,0|2,0,0]=4 25215 B13R1.666 CCCNCc1cccc(c1)SC 62a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 25216 B13R1.666 CCCNCc1cccc(c1)SC 62a_200000210301_100015184641 [0,2,0,0,0,0|2,0,0]=4 25217 B13R1.666 CCCNCc1cccc(c1)S[13CH3] 62a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 25218 B13R1.666 CCCNCc1cccc(c1)S[13CH3] 62a_200025704644_100015184641 [0,2,0,0,0,0|2,0,0]=4 25219 B13R1.666 CCCOCc1cccc(c1)C#N 34a_100000210258_100000233786 [0,2,0,0,0,0|2,0,0]=4 25220 B13R1.666 CCCOCc1cccc(c1)C#N 34a_100000753308_100000210303 [0,2,0,0,0,0|2,0,0]=4 25221 B13R1.666 CCCOCc1cccc(c1)C#N 7a_100000753308_100000210303 [0,2,0,0,0,0|2,0,0]=4 25222 B13R1.666 CCCOCc1cccc(c1)C=O 34a_100000210258_100009816774 [0,2,0,0,0,0|2,0,0]=4 25223 B13R1.666 CCCOCc1cccc(c1)CBr 34a_100010188025_100000210303 [0,2,0,0,0,0|2,0,0]=4 25224 B13R1.666 CCCOCc1cccc(c1)CBr 7a_100010188025_100000210303 [0,2,0,0,0,0|2,0,0]=4 25225 B13R1.666 CCCOCc1cccc(c1)CCl 34a_200000090956_100000210303 [0,2,0,0,0,0|2,0,0]=4 25226 B13R1.666 CCCOCc1cccc(c1)CCl 7a_200000090956_100000210303 [0,2,0,0,0,0|2,0,0]=4 25227 B13R1.666 CCCOCc1cccc(c1)CN 34a_100011269909_100000210303 [0,2,0,0,0,0|2,0,0]=4 25228 B13R1.666 CCCOCc1cccc(c1)CO 34a_100000210258_100010188025 [0,2,0,0,0,0|2,0,0]=4 25229 B13R1.666 CCCOCc1cccc(c1)OC 34a_100000198976_100000210303 [0,2,0,0,0,0|2,0,0]=4 25230 B13R1.666 CCCOCc1cccc(c1)OC 34a_100000210258_100000688526 [0,2,0,0,0,0|2,0,0]=4 25231 B13R1.666 CCCSCc1cccc(c1)C#N 62a_100000210303_100000233786 [0,2,0,0,0,0|2,0,0]=4 25232 B13R1.666 CCCSCc1cccc(c1)C=O 62a_100000210303_100009816774 [0,2,0,0,0,0|2,0,0]=4 25233 B13R1.666 CCCSCc1cccc(c1)C=O 62a_100009816774_100000210303 [0,2,0,0,0,0|2,0,0]=4 25234 B13R1.666 CCCSCc1cccc(c1)CO 62a_100000210303_100010188025 [0,2,0,0,0,0|2,0,0]=4 25235 B13R1.666 CCCSCc1cccc(c1)CO 62a_100010188025_100000210303 [0,2,0,0,0,0|2,0,0]=4 25236 B13R1.666 CCCSCc1cccc(c1)OC 62a_100000210303_100000211672 [0,2,0,0,0,0|2,0,0]=4 25237 B13R1.666 CCCSCc1cccc(c1)OC 62a_100000688526_100000210303 [0,2,0,0,0,0|2,0,0]=4 25238 B13R1.666 CCNCCc1cccc(c1)OC 2230a_100000740386_100000210202 [0,2,0,0,0,0|2,0,0]=4 25239 B13R1.666 CCNCCc1cccc(c1)OC 2230a_100015525214_100011713679 [0,2,0,0,0,0|2,0,0]=4 25240 B13R1.666 CCNCCc1cccc(c1)OC 34a_100000740386_100000210202 [0,2,0,0,0,0|2,0,0]=4 25241 B13R1.666 CCOCCc1cccc(c1)C#N 34a_100012001419_100000210202 [0,2,0,0,0,0|2,0,0]=4 25242 B13R1.666 CCOCCc1cccc(c1)C#N 7a_100012001419_100000210202 [0,2,0,0,0,0|2,0,0]=4 25243 B13R1.666 CCOCCc1cccc(c1)OC 34a_100011215300_100000210202 [0,2,0,0,0,0|2,0,0]=4 25244 B13R1.666 CCOCCc1cccc(c1)OC 34a_100121572206_100011713679 [0,2,0,0,0,0|2,0,0]=4 25245 B13R1.666 CCOCCc1cccc(c1)OC 7a_100011215300_100000210202 [0,2,0,0,0,0|2,0,0]=4 25246 B13R1.666 CCSCCc1cccc(c1)OC 62a_100000210202_100011713679 [0,2,0,0,0,0|2,0,0]=4 25247 B13R1.666 CCSCCc1cccc(c1)OC 62a_100011713679_100000210202 [0,2,0,0,0,0|2,0,0]=4 25248 B13R1.666 CCc1cccc(c1)CNCCO 207a_100000210304_100011999841 [0,2,0,0,0,0|2,0,0]=4 25249 B13R1.666 CCc1cccc(c1)CNCCO 270004a_100000210304_100011999841 [0,2,0,0,0,0|2,0,0]=4 25250 B13R1.666 CCc1cccc(c1)NCCCF 2230a_100000211250_100011934791 [0,2,0,0,0,0|2,0,0]=4 25251 B13R1.666 CCc1cccc(c1)NCCCF 34a_100000211250_100011934791 [0,2,0,0,0,0|2,0,0]=4 25252 B13R1.666 CCc1cccc(c1)NCCCF 7a_100000211250_100011934791 [0,2,0,0,0,0|2,0,0]=4 25253 B13R1.666 CCc1cccc(c1)NCCCO 2230a_100000211250_100000230001 [0,2,0,0,0,0|2,0,0]=4 25254 B13R1.666 CCc1cccc(c1)NCCCO 34a_100000211250_100000230001 [0,2,0,0,0,0|2,0,0]=4 25255 B13R1.666 CCc1cccc(c1)NCCCO 7a_100000211250_100011215043 [0,2,0,0,0,0|2,0,0]=4 25256 B13R1.666 CCc1cccc(c1)OCCCF 34a_100000211550_100011934791 [0,2,0,0,0,0|2,0,0]=4 25257 B13R1.666 CCc1cccc(c1)OCCCF 7a_100000211550_100011934791 [0,2,0,0,0,0|2,0,0]=4 25258 B13R1.666 CCc1cccc(c1)OCCCO 34a_100000211550_100000230001 [0,2,0,0,0,0|2,0,0]=4 25259 B13R1.666 CCc1cccc(c1)OCCCO 7a_100000211550_100011215043 [0,2,0,0,0,0|2,0,0]=4 25260 B13R1.666 CCc1cccc(c1)SCCCF 62a_100011263222_100011934791 [0,2,0,0,0,0|2,0,0]=4 25261 B13R1.666 CCc1cccc(c1)SCCCF 62a_100011934791_100011263222 [0,2,0,0,0,0|2,0,0]=4 25262 B13R1.666 CCc1cccc(c1)SCCCO 62a_100011215043_100011263222 [0,2,0,0,0,0|2,0,0]=4 25263 B13R1.666 CCc1cccc(c1)SCCCO 62a_100011263222_100011215043 [0,2,0,0,0,0|2,0,0]=4 25264 B13R1.666 CNCCCc1cccc(c1)OC 2230a_100000750448_200000210301 [0,2,0,0,0,0|2,0,0]=4 25265 B13R1.666 CNCCCc1cccc(c1)OC 34a_100000750448_200000210301 [0,2,0,0,0,0|2,0,0]=4 25266 B13R1.666 CNc1cccc(c1)OCCCF 34a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 25267 B13R1.666 CNc1cccc(c1)OCCCF 7a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 25268 B13R1.666 CNc1cccc(c1)OCCCO 34a_100000756613_100000230001 [0,2,0,0,0,0|2,0,0]=4 25269 B13R1.666 CNc1cccc(c1)OCCCO 7a_100000756613_100011215043 [0,2,0,0,0,0|2,0,0]=4 25270 B13R1.666 CNc1cccc(c1)SCCCF 62a_100000219648_100011934791 [0,2,0,0,0,0|2,0,0]=4 25271 B13R1.666 CNc1cccc(c1)SCCCF 62a_100011934791_100000219648 [0,2,0,0,0,0|2,0,0]=4 25272 B13R1.666 CNc1cccc(c1)SCCCO 62a_100000219648_100011215043 [0,2,0,0,0,0|2,0,0]=4 25273 B13R1.666 CNc1cccc(c1)SCCCO 62a_100011215043_100000219648 [0,2,0,0,0,0|2,0,0]=4 25274 B13R1.666 COCCCc1cccc(c1)OC 34a_100000760512_200000210301 [0,2,0,0,0,0|2,0,0]=4 25275 B13R1.666 COCCCc1cccc(c1)OC 7a_100000760512_200000210301 [0,2,0,0,0,0|2,0,0]=4 25276 B13R1.666 COc1cc(ccn1)COCCN 34a_100000210304_100103152439 [0,2,0,0,0,0|2,0,0]=4 25277 B13R1.666 COc1cccc(c1)CCCN[13CH3] 2230a_100000750448_200025704644 [0,2,0,0,0,0|2,0,0]=4 25278 B13R1.666 COc1cccc(c1)CCCN[13CH3] 34a_100000750448_200025704644 [0,2,0,0,0,0|2,0,0]=4 25279 B13R1.666 COc1cccc(c1)CCCO[13CH3] 34a_100000760512_200025704644 [0,2,0,0,0,0|2,0,0]=4 25280 B13R1.666 COc1cccc(c1)CCCO[13CH3] 7a_100000760512_200025704644 [0,2,0,0,0,0|2,0,0]=4 25281 B13R1.666 COc1cccc(c1)CCNCF 34a_100000740386_100015361967 [0,2,0,0,0,0|2,0,0]=4 25282 B13R1.666 COc1cccc(c1)CCOCF 34a_100011215300_100015361967 [0,2,0,0,0,0|2,0,0]=4 25283 B13R1.666 COc1cccc(c1)CCOCF 7a_100011215300_100015361967 [0,2,0,0,0,0|2,0,0]=4 25284 B13R1.666 COc1cccc(c1)CCSCF 62a_100011713679_100015361967 [0,2,0,0,0,0|2,0,0]=4 25285 B13R1.666 COc1cccc(c1)CCSCF 62a_100015361967_100011713679 [0,2,0,0,0,0|2,0,0]=4 25286 B13R1.666 COc1cccc(c1)CNCCF 2230a_100000174954_100011217306 [0,2,0,0,0,0|2,0,0]=4 25287 B13R1.666 COc1cccc(c1)CNCCF 34a_100000174954_100011217306 [0,2,0,0,0,0|2,0,0]=4 25288 B13R1.666 COc1cccc(c1)CNCCF 34a_100000724931_100000688526 [0,2,0,0,0,0|2,0,0]=4 25289 B13R1.666 COc1cccc(c1)CNCCO 207a_100000210304_100000170238 [0,2,0,0,0,0|2,0,0]=4 25290 B13R1.666 COc1cccc(c1)CNCCO 2230a_100000174954_100000211926 [0,2,0,0,0,0|2,0,0]=4 25291 B13R1.666 COc1cccc(c1)CNCCO 2230a_100016997473_100000211672 [0,2,0,0,0,0|2,0,0]=4 25292 B13R1.666 COc1cccc(c1)CNCCO 270004a_100000210304_100000170238 [0,2,0,0,0,0|2,0,0]=4 25293 B13R1.666 COc1cccc(c1)CNCCO 34a_100000174954_100000211926 [0,2,0,0,0,0|2,0,0]=4 25294 B13R1.666 COc1cccc(c1)CNCCO 34a_100016990907_100000688526 [0,2,0,0,0,0|2,0,0]=4 25295 B13R1.666 COc1cccc(c1)COCCBr 34a_100000211926_100000688526 [0,2,0,0,0,0|2,0,0]=4 25296 B13R1.666 COc1cccc(c1)COCCF 34a_100000198976_100011217306 [0,2,0,0,0,0|2,0,0]=4 25297 B13R1.666 COc1cccc(c1)COCCN 34a_100000210304_100000688526 [0,2,0,0,0,0|1,0,0]=3 25298 B13R1.666 COc1cccc(c1)COCCO 34a_100000198976_100000211926 [0,2,0,0,0,0|2,0,0]=4 25299 B13R1.666 COc1cccc(c1)CSCCF 62a_100000688526_100011217306 [0,2,0,0,0,0|2,0,0]=4 25300 B13R1.666 COc1cccc(c1)CSCCF 62a_100011217306_100000211672 [0,2,0,0,0,0|2,0,0]=4 25301 B13R1.666 COc1cccc(c1)CSCCO 62a_100000211926_100000211672 [0,2,0,0,0,0|2,0,0]=4 25302 B13R1.666 COc1cccc(c1)CSCCO 62a_100000688526_100000211926 [0,2,0,0,0,0|2,0,0]=4 25303 B13R1.666 COc1cccc(c1)NCCCF 34a_100000210024_100011934791 [0,2,0,0,0,0|2,0,0]=4 25304 B13R1.666 COc1cccc(c1)NCCCO 34a_100000210024_100000230001 [0,2,0,0,0,0|2,0,0]=4 25305 B13R1.666 COc1cccc(c1)OCCCF 34a_100000211255_100011934791 [0,2,0,0,0,0|2,0,0]=4 25306 B13R1.666 COc1cccc(c1)OCCCF 7a_100000211255_100011934791 [0,2,0,0,0,0|2,0,0]=4 25307 B13R1.666 COc1cccc(c1)OCCCO 34a_100000211255_100000230001 [0,2,0,0,0,0|2,0,0]=4 25308 B13R1.666 COc1cccc(c1)OCCCO 7a_100000211255_100011215043 [0,2,0,0,0,0|2,0,0]=4 25309 B13R1.666 COc1cccc(c1)SCCCF 62a_100011934791_100000170001 [0,2,0,0,0,0|2,0,0]=4 25310 B13R1.666 COc1cccc(c1)SCCCO 62a_100011215043_100000170001 [0,2,0,0,0,0|2,0,0]=4 25311 B13R1.666 COc1cccc(n1)COCCN 34a_100000210304_100000755263 [0,2,0,0,0,0|2,0,0]=4 25312 B13R1.666 COc1ccnc(c1)COCCN 34a_100000210304_100000752681 [0,2,0,0,0,0|2,0,0]=4 25313 B13R1.666 CSc1cccc(c1)CNCCO 207a_100000210304_100011935093 [0,2,0,0,0,0|2,0,0]=4 25314 B13R1.666 CSc1cccc(c1)CNCCO 270004a_100000210304_100011935093 [0,2,0,0,0,0|2,0,0]=4 25315 B13R1.666 CSc1cccc(c1)NCCCF 2230a_100000210049_100011934791 [0,2,0,0,0,0|2,0,0]=4 25316 B13R1.666 CSc1cccc(c1)NCCCF 34a_100000210049_100011934791 [0,2,0,0,0,0|2,0,0]=4 25317 B13R1.666 CSc1cccc(c1)NCCCO 2230a_100000210049_100000230001 [0,2,0,0,0,0|2,0,0]=4 25318 B13R1.666 CSc1cccc(c1)NCCCO 34a_100000210049_100000230001 [0,2,0,0,0,0|2,0,0]=4 25319 B13R1.666 CSc1cccc(c1)OCCCF 34a_100011265683_100011934791 [0,2,0,0,0,0|2,0,0]=4 25320 B13R1.666 CSc1cccc(c1)OCCCF 7a_100011265683_100011934791 [0,2,0,0,0,0|2,0,0]=4 25321 B13R1.666 CSc1cccc(c1)OCCCO 34a_100011265683_100000230001 [0,2,0,0,0,0|2,0,0]=4 25322 B13R1.666 CSc1cccc(c1)OCCCO 7a_100011265683_100011215043 [0,2,0,0,0,0|2,0,0]=4 25323 B13R1.666 CSc1cccc(c1)SCCCF 62a_100011215954_100011934791 [0,2,0,0,0,0|2,0,0]=4 25324 B13R1.666 CSc1cccc(c1)SCCCF 62a_100011934791_100011215954 [0,2,0,0,0,0|2,0,0]=4 25325 B13R1.666 CSc1cccc(c1)SCCCO 62a_100011215043_100011215954 [0,2,0,0,0,0|2,0,0]=4 25326 B13R1.666 CSc1cccc(c1)SCCCO 62a_100011215954_100011215043 [0,2,0,0,0,0|2,0,0]=4 25327 B13R1.666 FCCCNc1cccc(c1)CF 2230a_100000126320_100011934791 [0,2,0,0,0,0|2,0,0]=4 25328 B13R1.666 FCCCNc1cccc(c1)CF 34a_100000126320_100011934791 [0,2,0,0,0,0|2,0,0]=4 25329 B13R1.666 FCCCNc1cccc(c1)CF 7a_100000126320_100011934791 [0,2,0,0,0,0|2,0,0]=4 25330 B13R1.666 FCCCOc1cccc(c1)CBr 34a_100011660834_100011934791 [0,2,0,0,0,0|2,0,0]=4 25331 B13R1.666 FCCCOc1cccc(c1)CBr 7a_100011660834_100011934791 [0,2,0,0,0,0|2,0,0]=4 25332 B13R1.666 FCCCOc1cccc(c1)CCl 34a_100000084143_100011934791 [0,2,0,0,0,0|2,0,0]=4 25333 B13R1.666 FCCCOc1cccc(c1)CCl 7a_100000084143_100011934791 [0,2,0,0,0,0|2,0,0]=4 25334 B13R1.666 FCCCSc1cccc(c1)CF 62a_100010878472_100011934791 [0,2,0,0,0,0|2,0,0]=4 25335 B13R1.666 FCCCSc1cccc(c1)CF 62a_100011934791_100010878472 [0,2,0,0,0,0|2,0,0]=4 25336 B13R1.666 FCCOCc1cccc(c1)CBr 34a_100010188025_100011217306 [0,2,0,0,0,0|2,0,0]=4 25337 B13R1.666 FCCOCc1cccc(c1)CBr 7a_100010188025_100011217306 [0,2,0,0,0,0|2,0,0]=4 25338 B13R1.666 FCCOCc1cccc(c1)CCl 34a_200000090956_100011217306 [0,2,0,0,0,0|2,0,0]=4 25339 B13R1.666 FCCOCc1cccc(c1)CCl 7a_200000090956_100011217306 [0,2,0,0,0,0|2,0,0]=4 25340 B13R1.666 N#Cc1cccc(c1)CCOCF 34a_100012001419_100015361967 [0,2,0,0,0,0|2,0,0]=4 25341 B13R1.666 N#Cc1cccc(c1)CCOCF 7a_100012001419_100015361967 [0,2,0,0,0,0|2,0,0]=4 25342 B13R1.666 N#Cc1cccc(c1)CNCCF 34a_100000724931_100000233786 [0,2,0,0,0,0|2,0,0]=4 25343 B13R1.666 N#Cc1cccc(c1)CNCCF 34a_100000755147_100011217306 [0,2,0,0,0,0|2,0,0]=4 25344 B13R1.666 N#Cc1cccc(c1)CNCCO 207a_100000210304_100000241001 [0,2,0,0,0,0|2,0,0]=4 25345 B13R1.666 N#Cc1cccc(c1)CNCCO 2230a_100016997473_100000233786 [0,2,0,0,0,0|2,0,0]=4 25346 B13R1.666 N#Cc1cccc(c1)CNCCO 270004a_100000210304_100000241001 [0,2,0,0,0,0|2,0,0]=4 25347 B13R1.666 N#Cc1cccc(c1)CNCCO 34a_100000755147_100000211926 [0,2,0,0,0,0|2,0,0]=4 25348 B13R1.666 N#Cc1cccc(c1)CNCCO 34a_100016990907_100000233786 [0,2,0,0,0,0|2,0,0]=4 25349 B13R1.666 N#Cc1cccc(c1)COCCBr 34a_100000211926_100000233786 [0,2,0,0,0,0|2,0,0]=4 25350 B13R1.666 N#Cc1cccc(c1)COCCF 34a_100000753308_100011217306 [0,2,0,0,0,0|2,0,0]=4 25351 B13R1.666 N#Cc1cccc(c1)COCCF 7a_100000753308_100011217306 [0,2,0,0,0,0|2,0,0]=4 25352 B13R1.666 N#Cc1cccc(c1)COCCN 34a_100000210304_100000233786 [0,2,0,0,0,0|1,0,0]=3 25353 B13R1.666 N#Cc1cccc(c1)COCCO 34a_100000753308_100000211926 [0,2,0,0,0,0|2,0,0]=4 25354 B13R1.666 N#Cc1cccc(c1)COCCO 7a_100000753308_100000211926 [0,2,0,0,0,0|2,0,0]=4 25355 B13R1.666 N#Cc1cccc(c1)CSCCF 62a_100011217306_100000233786 [0,2,0,0,0,0|2,0,0]=4 25356 B13R1.666 N#Cc1cccc(c1)CSCCO 62a_100000211926_100000233786 [0,2,0,0,0,0|2,0,0]=4 25357 B13R1.666 N#Cc1cccc(c1)NCCCF 34a_100000210922_100011934791 [0,2,0,0,0,0|2,0,0]=4 25358 B13R1.666 N#Cc1cccc(c1)NCCCF 7a_100000210922_100011934791 [0,2,0,0,0,0|2,0,0]=4 25359 B13R1.666 N#Cc1cccc(c1)NCCCO 34a_100000210922_100000230001 [0,2,0,0,0,0|2,0,0]=4 25360 B13R1.666 N#Cc1cccc(c1)NCCCO 7a_100000210922_100011215043 [0,2,0,0,0,0|2,0,0]=4 25361 B13R1.666 N#Cc1cccc(c1)OCCCF 34a_100000184713_100011934791 [0,2,0,0,0,0|2,0,0]=4 25362 B13R1.666 N#Cc1cccc(c1)OCCCF 7a_100000184713_100011934791 [0,2,0,0,0,0|2,0,0]=4 25363 B13R1.666 N#Cc1cccc(c1)OCCCO 34a_100000184713_100000230001 [0,2,0,0,0,0|2,0,0]=4 25364 B13R1.666 N#Cc1cccc(c1)OCCCO 7a_100000184713_100011215043 [0,2,0,0,0,0|2,0,0]=4 25365 B13R1.666 N#Cc1cccc(c1)SCCCF 62a_100011934791_100000189340 [0,2,0,0,0,0|2,0,0]=4 25366 B13R1.666 N#Cc1cccc(c1)SCCCO 62a_100011215043_100000189340 [0,2,0,0,0,0|2,0,0]=4 25367 B13R1.666 N#Cc1cccc(n1)COCCN 34a_100000210304_100000097530 [0,2,0,0,0,0|2,0,0]=4 25368 B13R1.666 N#Cc1cncc(c1)COCCN 34a_100000210304_200020634941 [0,2,0,0,0,0|2,0,0]=4 25369 B13R1.666 NCCOCc1cccc(c1)C=O 34a_100000210304_100009816774 [0,2,0,0,0,0|1,0,0]=3 25370 B13R1.666 NCCOCc1cccc(c1)CO 34a_100000210304_100010188025 [0,2,0,0,0,0|1,0,0]=3 25371 B13R1.666 NCCOCc1cccc(n1)CO 34a_100000210304_100009813551 [0,2,0,0,0,0|2,0,0]=4 25372 B13R1.666 NCc1cccc(c1)COCCF 34a_100011269909_100011217306 [0,2,0,0,0,0|2,0,0]=4 25373 B13R1.666 NCc1cccc(c1)COCCO 34a_100011269909_100000211926 [0,2,0,0,0,0|2,0,0]=4 25374 B13R1.666 NCc1cccc(c1)OCCCF 34a_100000743036_100011934791 [0,2,0,0,0,0|2,0,0]=4 25375 B13R1.666 NCc1cccc(c1)OCCCO 34a_100000743036_100000230001 [0,2,0,0,0,0|2,0,0]=4 25376 B13R1.666 NCc1cccc(c1)SCCCF 62a_100000106179_100011934791 [0,2,0,0,0,0|2,0,0]=4 25377 B13R1.666 NCc1cccc(c1)SCCCF 62a_100011934791_100000106179 [0,2,0,0,0,0|2,0,0]=4 25378 B13R1.666 NCc1cccc(c1)SCCCO 62a_100000106179_100011215043 [0,2,0,0,0,0|2,0,0]=4 25379 B13R1.666 NCc1cccc(c1)SCCCO 62a_100011215043_100000106179 [0,2,0,0,0,0|2,0,0]=4 25380 B13R1.666 NNc1cccc(c1)SCCCF 62a_100000217339_100011934791 [0,2,0,0,0,0|2,0,0]=4 25381 B13R1.666 NNc1cccc(c1)SCCCF 62a_100011934791_100000217339 [0,2,0,0,0,0|2,0,0]=4 25382 B13R1.666 NNc1cccc(c1)SCCCO 62a_100000217339_100011215043 [0,2,0,0,0,0|2,0,0]=4 25383 B13R1.666 NNc1cccc(c1)SCCCO 62a_100011215043_100000217339 [0,2,0,0,0,0|2,0,0]=4 25384 B13R1.666 O=Cc1cccc(c1)CNCCF 34a_100000724931_100009816774 [0,2,0,0,0,0|2,0,0]=4 25385 B13R1.666 O=Cc1cccc(c1)CNCCO 2230a_100016997473_100009816774 [0,2,0,0,0,0|2,0,0]=4 25386 B13R1.666 O=Cc1cccc(c1)CNCCO 34a_100016990907_100009816774 [0,2,0,0,0,0|2,0,0]=4 25387 B13R1.666 O=Cc1cccc(c1)COCCBr 34a_100000211926_100009816774 [0,2,0,0,0,0|2,0,0]=4 25388 B13R1.666 O=Cc1cccc(c1)CSCCF 62a_100009816774_100011217306 [0,2,0,0,0,0|2,0,0]=4 25389 B13R1.666 O=Cc1cccc(c1)CSCCF 62a_100011217306_100009816774 [0,2,0,0,0,0|2,0,0]=4 25390 B13R1.666 O=Cc1cccc(c1)CSCCO 62a_100000211926_100009816774 [0,2,0,0,0,0|2,0,0]=4 25391 B13R1.666 O=Cc1cccc(c1)CSCCO 62a_100009816774_100000211926 [0,2,0,0,0,0|2,0,0]=4 25392 B13R1.666 O=Cc1cccc(c1)SCCCF 62a_100000014684_100011934791 [0,2,0,0,0,0|2,0,0]=4 25393 B13R1.666 O=Cc1cccc(c1)SCCCF 62a_100011934791_100000014684 [0,2,0,0,0,0|2,0,0]=4 25394 B13R1.666 O=Cc1cccc(c1)SCCCO 62a_100000014684_100011215043 [0,2,0,0,0,0|2,0,0]=4 25395 B13R1.666 O=Cc1cccc(c1)SCCCO 62a_100011215043_100000014684 [0,2,0,0,0,0|2,0,0]=4 25396 B13R1.666 OCCCNc1cccc(c1)CF 2230a_100000126320_100000230001 [0,2,0,0,0,0|2,0,0]=4 25397 B13R1.666 OCCCNc1cccc(c1)CF 34a_100000126320_100000230001 [0,2,0,0,0,0|2,0,0]=4 25398 B13R1.666 OCCCNc1cccc(c1)CF 7a_100000126320_100011215043 [0,2,0,0,0,0|2,0,0]=4 25399 B13R1.666 OCCCNc1cccc(c1)CO 2230a_100000211919_100000230001 [0,2,0,0,0,0|2,0,0]=4 25400 B13R1.666 OCCCNc1cccc(c1)CO 34a_100000211919_100000230001 [0,2,0,0,0,0|2,0,0]=4 25401 B13R1.666 OCCCOc1cccc(c1)CBr 34a_100011660834_100000230001 [0,2,0,0,0,0|2,0,0]=4 25402 B13R1.666 OCCCOc1cccc(c1)CBr 7a_100011660834_100011215043 [0,2,0,0,0,0|2,0,0]=4 25403 B13R1.666 OCCCOc1cccc(c1)CCl 34a_100000084143_100000230001 [0,2,0,0,0,0|2,0,0]=4 25404 B13R1.666 OCCCOc1cccc(c1)CCl 7a_100000084143_100011215043 [0,2,0,0,0,0|2,0,0]=4 25405 B13R1.666 OCCCOc1cccc(c1)CO 34a_100011214949_100000230001 [0,2,0,0,0,0|2,0,0]=4 25406 B13R1.666 OCCCOc1cccc(c1)CO 7a_100011214949_100011215043 [0,2,0,0,0,0|2,0,0]=4 25407 B13R1.666 OCCCSc1cccc(c1)CF 62a_100010878472_100011215043 [0,2,0,0,0,0|2,0,0]=4 25408 B13R1.666 OCCCSc1cccc(c1)CF 62a_100011215043_100010878472 [0,2,0,0,0,0|2,0,0]=4 25409 B13R1.666 OCCCSc1cccc(c1)CO 62a_100000687537_100011215043 [0,2,0,0,0,0|2,0,0]=4 25410 B13R1.666 OCCCSc1cccc(c1)CO 62a_100011215043_100000687537 [0,2,0,0,0,0|2,0,0]=4 25411 B13R1.666 OCCNCc1cccc(c1)CO 207a_100000210304_200000050894 [0,2,0,0,0,0|2,0,0]=4 25412 B13R1.666 OCCNCc1cccc(c1)CO 2230a_100011269909_100000211926 [0,2,0,0,0,0|2,0,0]=4 25413 B13R1.666 OCCNCc1cccc(c1)CO 2230a_100016997473_100010188025 [0,2,0,0,0,0|2,0,0]=4 25414 B13R1.666 OCCNCc1cccc(c1)CO 270004a_100000210304_200000050894 [0,2,0,0,0,0|2,0,0]=4 25415 B13R1.666 OCCNCc1cccc(c1)CO 34a_100011269909_100000211926 [0,2,0,0,0,0|2,0,0]=4 25416 B13R1.666 OCCNCc1cccc(c1)CO 34a_100016990907_100010188025 [0,2,0,0,0,0|2,0,0]=4 25417 B13R1.666 OCCOCc1cccc(c1)CBr 34a_100010188025_100000211926 [0,2,0,0,0,0|2,0,0]=4 25418 B13R1.666 OCCOCc1cccc(c1)CBr 7a_100010188025_100000211926 [0,2,0,0,0,0|2,0,0]=4 25419 B13R1.666 OCCOCc1cccc(c1)CCl 34a_200000090956_100000211926 [0,2,0,0,0,0|2,0,0]=4 25420 B13R1.666 OCCOCc1cccc(c1)CCl 7a_200000090956_100000211926 [0,2,0,0,0,0|2,0,0]=4 25421 B13R1.666 OCCSCc1cccc(c1)CO 62a_100000211926_100010188025 [0,2,0,0,0,0|2,0,0]=4 25422 B13R1.666 OCCSCc1cccc(c1)CO 62a_100010188025_100000211926 [0,2,0,0,0,0|2,0,0]=4 25423 B13R1.666 OCc1cccc(c1)CNCCF 2230a_100011269909_100011217306 [0,2,0,0,0,0|2,0,0]=4 25424 B13R1.666 OCc1cccc(c1)CNCCF 34a_100000724931_100010188025 [0,2,0,0,0,0|2,0,0]=4 25425 B13R1.666 OCc1cccc(c1)CNCCF 34a_100011269909_100011217306 [0,2,0,0,0,0|2,0,0]=4 25426 B13R1.666 OCc1cccc(c1)COCCBr 34a_100000211926_100010188025 [0,2,0,0,0,0|2,0,0]=4 25427 B13R1.666 OCc1cccc(c1)CSCCF 62a_100010188025_100011217306 [0,2,0,0,0,0|2,0,0]=4 25428 B13R1.666 OCc1cccc(c1)CSCCF 62a_100011217306_100010188025 [0,2,0,0,0,0|2,0,0]=4 25429 B13R1.666 OCc1cccc(c1)NCCCF 2230a_100000211919_100011934791 [0,2,0,0,0,0|2,0,0]=4 25430 B13R1.666 OCc1cccc(c1)NCCCF 34a_100000211919_100011934791 [0,2,0,0,0,0|2,0,0]=4 25431 B13R1.666 OCc1cccc(c1)OCCCF 34a_100011214949_100011934791 [0,2,0,0,0,0|2,0,0]=4 25432 B13R1.666 OCc1cccc(c1)OCCCF 7a_100011214949_100011934791 [0,2,0,0,0,0|2,0,0]=4 25433 B13R1.666 OCc1cccc(c1)SCCCF 62a_100000687537_100011934791 [0,2,0,0,0,0|2,0,0]=4 25434 B13R1.666 OCc1cccc(c1)SCCCF 62a_100011934791_100000687537 [0,2,0,0,0,0|2,0,0]=4 25435 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,2,0,0,0,0|2,0,0]=4 25436 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,2,0,0,0,0|2,0,0]=4 25437 B13R1.26 C#CC(OCCF)c1ccccc1 34a_100011219616_100011217306 [0,2,0,0,0,0|2,0,0]=4 25438 B13R1.26 C#CC(OCCF)c1ccccc1 7a_100011219616_100011217306 [0,2,0,0,0,0|2,0,0]=4 25439 B13R1.26 C#CC(OCCO)c1ccccc1 34a_100011219616_100000211926 [0,2,0,0,0,0|2,0,0]=4 25440 B13R1.26 C#CC(OCCO)c1ccccc1 7a_100011219616_100000211926 [0,2,0,0,0,0|2,0,0]=4 25441 B13R1.26 C=CC(NCCO)c1ccccc1 2230a_100016997473_200000085779 [0,2,0,0,0,0|2,0,0]=4 25442 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,2,0,0,0,0|2,0,0]=4 25443 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,2,0,0,0,0|2,0,0]=4 25444 B13R1.26 C=CC(OCCF)c1ccccc1 34a_100011215659_100011217306 [0,2,0,0,0,0|2,0,0]=4 25445 B13R1.26 C=CC(OCCF)c1ccccc1 7a_100011215659_100011217306 [0,2,0,0,0,0|2,0,0]=4 25446 B13R1.26 C=CC(OCCO)c1ccccc1 34a_100011215659_100000211926 [0,2,0,0,0,0|2,0,0]=4 25447 B13R1.26 C=CC(OCCO)c1ccccc1 7a_100011215659_100000211926 [0,2,0,0,0,0|2,0,0]=4 25448 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [0,2,0,0,0,0|2,0,0]=4 25449 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [0,2,0,0,0,0|2,0,0]=4 25450 B13R1.26 C=CC(SCCF)c1ccccc1 62a_100011217306_200000085779 [0,2,0,0,0,0|2,0,0]=4 25451 B13R1.26 C=CC(SCCF)c1ccccc1 62a_200000085779_100011217306 [0,2,0,0,0,0|2,0,0]=4 25452 B13R1.26 C=CC(SCCO)c1ccccc1 62a_100000211926_200000085779 [0,2,0,0,0,0|2,0,0]=4 25453 B13R1.26 C=CC(SCCO)c1ccccc1 62a_200000085779_100000211926 [0,2,0,0,0,0|2,0,0]=4 25454 B13R1.26 CCC(COCF)c1ccccc1 34a_100000752371_100015361967 [0,2,0,0,0,0|2,0,0]=4 25455 B13R1.26 CCC(COCF)c1ccccc1 7a_100000752371_100015361967 [0,2,0,0,0,0|2,0,0]=4 25456 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,2,0,0,0,0|2,0,0]=4 25457 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,2,0,0,0,0|2,0,0]=4 25458 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,2,0,0,0,0|2,0,0]=4 25459 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,2,0,0,0,0|2,0,0]=4 25460 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,2,0,0,0,0|2,0,0]=4 25461 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,2,0,0,0,0|2,0,0]=4 25462 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,2,0,0,0,0|2,0,0]=4 25463 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,2,0,0,0,0|2,0,0]=4 25464 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,2,0,0,0,0|1,0,0]=3 25465 B13R1.26 CCCCC(NC)c1cccnc1 2230a_200011711859_200000210301 [0,2,0,0,0,0|2,0,0]=4 25466 B13R1.26 CCCCC(NC)c1cccnc1 269862a_106832991636_200011709925 [0,2,0,0,0,0|2,0,0]=4 25467 B13R1.26 CCCCC(NC)c1ccncc1 2230a_100015203128_200000210301 [0,2,0,0,0,0|2,0,0]=4 25468 B13R1.26 CCCCC(N[13CH3])c1cccnc1 2230a_200011711859_200025704644 [0,2,0,0,0,0|2,0,0]=4 25469 B13R1.26 CCCCC(N[13CH3])c1ccncc1 2230a_100015203128_200025704644 [0,2,0,0,0,0|2,0,0]=4 25470 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 25471 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 25472 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 25473 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 25474 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000210013_100000210211 [0,2,0,0,0,0|2,0,0]=4 25475 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000211623_100000210202 [0,2,0,0,0,0|2,0,0]=4 25476 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000210013_100000210211 [0,2,0,0,0,0|2,0,0]=4 25477 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000211623_100000204670 [0,2,0,0,0,0|2,0,0]=4 25478 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000210013_100000210210 [0,2,0,0,0,0|2,0,0]=4 25479 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000211623_100000210202 [0,2,0,0,0,0|2,0,0]=4 25480 B13R1.26 CCCCN(CF)c1ccccc1 269982a_100000211623_100015361967 [0,2,0,0,0,0|2,0,0]=4 25481 B13R1.26 CCCCN(CF)c1ccccc1 34a_100000211623_100015361967 [0,2,0,0,0,0|2,0,0]=4 25482 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,2,0,0,0,0|2,0,0]=4 25483 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,2,0,0,0,0|2,0,0]=4 25484 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,2,0,0,0,0|2,0,0]=4 25485 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|2,0,0]=4 25486 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,2,0,0,0,0|2,0,0]=4 25487 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,2,0,0,0,0|2,0,0]=4 25488 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,2,0,0,0,0|2,0,0]=4 25489 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,2,0,0,0,0|2,0,0]=4 25490 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,2,0,0,0,0|2,0,0]=4 25491 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 25492 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 25493 B13R1.26 CCN(CCCF)c1ccccc1 2230a_100000210013_100011934791 [0,2,0,0,0,0|2,0,0]=4 25494 B13R1.26 CCN(CCCF)c1ccccc1 269982a_100000210013_100011934791 [0,2,0,0,0,0|2,0,0]=4 25495 B13R1.26 CCN(CCCF)c1ccccc1 34a_100000210013_100011934791 [0,2,0,0,0,0|2,0,0]=4 25496 B13R1.26 CCN(CCCO)c1ccccc1 2230a_100000210013_100000230001 [0,2,0,0,0,0|2,0,0]=4 25497 B13R1.26 CCN(CCCO)c1ccccc1 2230a_100000212590_100000210202 [0,2,0,0,0,0|2,0,0]=4 25498 B13R1.26 CCN(CCCO)c1ccccc1 269982a_100000210013_100011215043 [0,2,0,0,0,0|2,0,0]=4 25499 B13R1.26 CCN(CCCO)c1ccccc1 269982a_100000212590_100000204670 [0,2,0,0,0,0|2,0,0]=4 25500 B13R1.26 CCN(CCCO)c1ccccc1 34a_100000210013_100000230001 [0,2,0,0,0,0|2,0,0]=4 25501 B13R1.26 CCN(CCCO)c1ccccc1 34a_100000212590_100000210202 [0,2,0,0,0,0|2,0,0]=4 25502 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,2,0,0,0,0|2,0,0]=4 25503 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,2,0,0,0,0|2,0,0]=4 25504 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,2,0,0,0,0|2,0,0]=4 25505 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,2,0,0,0,0|2,0,0]=4 25506 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,2,0,0,0,0|2,0,0]=4 25507 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,2,0,0,0,0|1,0,0]=3 25508 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|1,0,0]=3 25509 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,2,0,0,0,0|2,0,0]=4 25510 B13R1.26 COC(COCF)c1ccccc1 34a_100011215540_100015361967 [0,2,0,0,0,0|2,0,0]=4 25511 B13R1.26 COC(COCF)c1ccccc1 7a_100011215540_100015361967 [0,2,0,0,0,0|2,0,0]=4 25512 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,2,0,0,0,0|2,0,0]=4 25513 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 25514 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 25515 B13R1.26 N#CC(OCCF)c1ccccc1 7a_100011217353_100011217306 [0,2,0,0,0,0|2,0,0]=4 25516 B13R1.26 N#CC(OCCO)c1ccccc1 7a_100011217353_100000211926 [0,2,0,0,0,0|2,0,0]=4 25517 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,2,0,0,0,0|2,0,0]=4 25518 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,2,0,0,0,0|2,0,0]=4 25519 B13R1.26 OCCCN(CF)c1ccccc1 269982a_100000212590_100015361967 [0,2,0,0,0,0|2,0,0]=4 25520 B13R1.26 OCCCN(CF)c1ccccc1 34a_100000212590_100015361967 [0,2,0,0,0,0|2,0,0]=4 25521 B13R1.26 OCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000211926 [0,2,0,0,0,0|2,0,0]=4 25522 B13R1.26 OCCN[C@H](CO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|2,0,0]=4 25523 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,2,0,0,0,0|2,0,0]=4 25524 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 25525 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 25526 B13R1.26 OC[C@@H](NCCF)c1ccccc1 2230a_100000751927_100011217306 [0,2,0,0,0,0|2,0,0]=4 25527 B13R1.26 OC[C@@H](NCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|2,0,0]=4 25528 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,2,0,0,0,0|1,0,0]=3 25529 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|1,0,0]=3 25530 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,2,0,0,0,0|1,0,1]=4 25531 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,2,0,0,0,0|2,0,0]=4 25532 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,2,0,0,0,0|1,0,1]=4 25533 B13R1.45 CC(C)CCN(C)c1ccccc1 2230a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 25534 B13R1.45 CC(C)CCN(C)c1ccccc1 269982a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 25535 B13R1.45 CC(C)CCN(C)c1ccccc1 34a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 25536 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,2,0,0,0,0|2,0,0]=4 25537 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,2,0,0,0,0|2,0,0]=4 25538 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,2,0,0,0,0|2,0,0]=4 25539 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,2,0,0,0,0|2,0,0]=4 25540 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,2,0,0,0,0|2,0,0]=4 25541 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,2,0,0,0,0|2,0,0]=4 25542 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,2,0,0,0,0|2,0,0]=4 25543 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,2,0,0,0,0|2,0,0]=4 25544 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,2,0,0,0,0|2,0,0]=4 25545 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,2,0,0,0,0|2,0,0]=4 25546 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,2,0,0,0,0|2,0,0]=4 25547 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,2,0,0,0,0|2,0,0]=4 25548 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,2,0,0,0,0|2,0,0]=4 25549 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,2,0,0,0,0|2,0,0]=4 25550 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,2,0,0,0,0|2,0,0]=4 25551 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,2,0,0,0,0|2,0,0]=4 25552 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,2,0,0,0,0|2,0,0]=4 25553 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,2,0,0,0,0|2,0,0]=4 25554 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,2,0,0,0,0|2,0,0]=4 25555 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,2,0,0,0,0|2,0,0]=4 25556 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,2,0,0,0,0|2,0,0]=4 25557 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,2,0,0,0,0|2,0,0]=4 25558 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,2,0,0,0,0|2,0,0]=4 25559 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 25560 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,2,0,0,0,0|2,0,0]=4 25561 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,2,0,0,0,0|2,0,0]=4 25562 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,2,0,0,0,0|2,0,0]=4 25563 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,2,0,0,0,0|2,0,0]=4 25564 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,2,0,0,0,0|2,0,0]=4 25565 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,2,0,0,0,0|2,0,0]=4 25566 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 25567 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,2,0,0,0,0|2,0,0]=4 25568 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,2,0,0,0,0|2,0,0]=4 25569 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,2,0,0,0,0|1,0,1]=4 25570 B13R1.45 CC(NCC(F)F)c1ccccc1 34a_100000765723_100000211855 [0,2,0,0,0,0|2,0,0]=4 25571 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,2,0,0,0,0|1,0,1]=4 25572 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 25573 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 25574 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 25575 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,2,0,0,0,0|2,0,0]=4 25576 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,2,0,0,0,0|2,0,0]=4 25577 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|2,0,0]=4 25578 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,2,0,0,0,0|2,0,0]=4 25579 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,2,0,0,0,0|2,0,0]=4 25580 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,2,0,0,0,0|2,0,0]=4 25581 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,2,0,0,0,0|2,0,0]=4 25582 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,2,0,0,0,0|2,0,0]=4 25583 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,2,0,0,0,0|2,0,0]=4 25584 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,2,0,0,0,0|2,0,0]=4 25585 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,2,0,0,0,0|1,0,0]=3 25586 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,2,0,0,0,0|1,0,1]=4 25587 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,2,0,0,0,0|1,0,1]=4 25588 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100000230085_100011934356 [0,2,0,0,0,0|2,0,0]=4 25589 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100011934356_100000230085 [0,2,0,0,0,0|2,0,0]=4 25590 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,2,0,0,0,0|2,0,0]=4 25591 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,2,0,0,0,0|2,0,0]=4 25592 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,2,0,0,0,0|2,0,0]=4 25593 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,2,0,0,0,0|2,0,0]=4 25594 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,2,0,0,0,0|2,0,0]=4 25595 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,2,0,0,0,0|2,0,0]=4 25596 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [0,2,0,0,0,0|1,0,1]=4 25597 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [0,2,0,0,0,0|1,0,1]=4 25598 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [0,2,0,0,0,0|1,0,1]=4 25599 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,2,0,0,0,0|2,0,0]=4 25600 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,2,0,0,0,0|2,0,0]=4 25601 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,2,0,0,0,0|1,0,1]=4 25602 B13R1.45 C[C@@H](NCC(F)F)c1ccccc1 2230a_100000751104_100011934356 [0,2,0,0,0,0|2,0,0]=4 25603 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,2,0,0,0,0|2,0,0]=4 25604 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,2,0,0,0,0|2,0,0]=4 25605 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,2,0,0,0,0|2,0,0]=4 25606 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,2,0,0,0,0|1,0,1]=4 25607 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,2,0,0,0,0|1,0,1]=4 25608 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,2,0,0,0,0|2,0,0]=4 25609 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,2,0,0,0,0|2,0,0]=4 25610 B13R1.47 CC(C(=O)CCO)c1ccccc1 1458a_100011216618_100000230085 [0,2,0,0,0,0|1,0,1]=4 25611 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,2,0,0,0,0|1,0,1]=4 25612 B13R1.47 CC(CCO)N(C)c1ccccc1 2230a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 25613 B13R1.47 CC(CCO)N(C)c1ccccc1 269982a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 25614 B13R1.47 CC(CCO)N(C)c1ccccc1 34a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 25615 B13R1.47 CC(c1ccccc1)N(C)CCF 2230a_100000195388_100011217306 [0,2,0,0,0,0|2,0,0]=4 25616 B13R1.47 CC(c1ccccc1)N(C)CCF 269982a_100000195388_100011217306 [0,2,0,0,0,0|2,0,0]=4 25617 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [0,2,0,0,0,0|2,0,0]=4 25618 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [0,2,0,0,0,0|2,0,0]=4 25619 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [0,2,0,0,0,0|2,0,0]=4 25620 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [0,2,0,0,0,0|2,0,0]=4 25621 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,2,0,0,0,0|1,0,1]=4 25622 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,2,0,0,0,0|1,0,1]=4 25623 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,2,0,0,0,0|1,0,1]=4 25624 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,2,0,0,0,0|1,0,1]=4 25625 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,2,0,0,0,0|1,0,1]=4 25626 B13R1.47 CCCC(C)N(C)c1ccccc1 2230a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 25627 B13R1.47 CCCC(C)N(C)c1ccccc1 269982a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 25628 B13R1.47 CCCC(C)N(C)c1ccccc1 34a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 25629 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,2,0,0,0,0|2,0,0]=4 25630 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,2,0,0,0,0|2,0,0]=4 25631 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,2,0,0,0,0|2,0,0]=4 25632 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,2,0,0,0,0|2,0,0]=4 25633 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,2,0,0,0,0|2,0,0]=4 25634 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,2,0,0,0,0|2,0,0]=4 25635 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,2,0,0,0,0|2,0,0]=4 25636 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,2,0,0,0,0|2,0,0]=4 25637 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 25638 B13R1.47 C[C@H](C(=O)CCF)c1ccccc1 1458a_100000751047_100011217306 [0,2,0,0,0,0|1,0,1]=4 25639 B13R1.47 C[C@H](C(=O)CCO)c1ccccc1 1458a_100000751047_100000211926 [0,2,0,0,0,0|1,0,1]=4 25640 B13R1.47 C[C@H](OCF)[C@@H](N)c1ccccc1 34a_100134616770_100015361967 [0,2,0,0,0,0|2,0,0]=4 25641 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [0,2,0,0,0,0|2,0,0]=4 25642 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [0,2,0,0,0,0|2,0,0]=4 25643 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [0,2,0,0,0,0|2,0,0]=4 25644 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [0,2,0,0,0,0|2,0,0]=4 25645 B13R1.47 O=C(CCF)C(F)c1ccccc1 1458a_100000698975_100011217306 [0,2,0,0,0,0|1,0,1]=4 25646 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,2,0,0,0,0|1,0,1]=4 25647 B13R1.47 O=C(CCO)C(F)c1ccccc1 1458a_100000698975_100000211926 [0,2,0,0,0,0|1,0,1]=4 25648 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,2,0,0,0,0|1,0,1]=4 25649 B13R1.122 CC(C)(COCF)c1ccccc1 7a_100000747608_100015361967 [0,2,0,0,0,0|2,0,0]=4 25650 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100000703224_100015361967 [0,2,0,0,0,0|2,0,0]=4 25651 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100015361967_100000703224 [0,2,0,0,0,0|2,0,0]=4 25652 B13R1.122 CC(C)(NCCF)c1ccccc1 2230a_100011218174_100011217306 [0,2,0,0,0,0|2,0,0]=4 25653 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100011218174_100000211926 [0,2,0,0,0,0|2,0,0]=4 25654 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100016997473_100000034625 [0,2,0,0,0,0|2,0,0]=4 25655 B13R1.122 CC(C)(OCCF)c1ccccc1 7a_100000694644_100011217306 [0,2,0,0,0,0|2,0,0]=4 25656 B13R1.122 CC(C)(OCCO)c1ccccc1 7a_100000694644_100000211926 [0,2,0,0,0,0|2,0,0]=4 25657 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100000034625_100011217306 [0,2,0,0,0,0|2,0,0]=4 25658 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100011217306_100000034625 [0,2,0,0,0,0|2,0,0]=4 25659 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000034625_100000211926 [0,2,0,0,0,0|2,0,0]=4 25660 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000211926_100000034625 [0,2,0,0,0,0|2,0,0]=4 25661 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,2,0,0,0,0|2,0,0]=4 25662 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,2,0,0,0,0|2,0,0]=4 25663 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,2,0,0,0,0|2,0,0]=4 25664 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,2,0,0,0,0|2,0,0]=4 25665 B13R1.122 CCCSC(F)(F)c1ccccc1 62a_100000210303_100000036403 [0,2,0,0,0,0|2,0,0]=4 25666 B13R1.122 CCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210202 [0,2,0,0,0,0|2,0,0]=4 25667 B13R1.122 CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210202 [0,2,0,0,0,0|2,0,0]=4 25668 B13R1.122 CCNCC(F)(F)c1ccccc1 34a_100000717977_100000210202 [0,2,0,0,0,0|2,0,0]=4 25669 B13R1.122 CCOCC(C)(C)c1ccccc1 7a_100000747608_100000210202 [0,2,0,0,0,0|2,0,0]=4 25670 B13R1.122 CCOCC(F)(F)c1ccccc1 34a_100121572206_100009875531 [0,2,0,0,0,0|2,0,0]=4 25671 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000210202_100000703224 [0,2,0,0,0,0|2,0,0]=4 25672 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000703224_100000210202 [0,2,0,0,0,0|2,0,0]=4 25673 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100000210202_100009875531 [0,2,0,0,0,0|2,0,0]=4 25674 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100009875531_100000210202 [0,2,0,0,0,0|2,0,0]=4 25675 B13R1.122 FCCSC(F)(F)c1ccccc1 62a_100011217306_100000036403 [0,2,0,0,0,0|2,0,0]=4 25676 B13R1.122 FCNCC(F)(F)c1ccccc1 34a_100000717977_100015361967 [0,2,0,0,0,0|2,0,0]=4 25677 B13R1.122 FCSCC(F)(F)c1ccccc1 62a_100009875531_100015361967 [0,2,0,0,0,0|2,0,0]=4 25678 B13R1.122 FCSCC(F)(F)c1ccccc1 62a_100015361967_100009875531 [0,2,0,0,0,0|2,0,0]=4 25679 B13R1.122 OCCSC(F)(F)c1ccccc1 62a_100000211926_100000036403 [0,2,0,0,0,0|2,0,0]=4 25680 B13R1.674 CC(NCCF)c1ccccc1Br 2230a_100000181357_100011217306 [0,2,0,0,0,0|2,0,0]=4 25681 B13R1.674 CC(NCCF)c1ccccc1Br 269862a_100000724931_100000187085 [0,2,0,0,0,0|2,0,0]=4 25682 B13R1.674 CC(NCCF)c1ccccc1Cl 2230a_100000174978_100011217306 [0,2,0,0,0,0|2,0,0]=4 25683 B13R1.674 CC(NCCF)c1ccccc1Cl 269862a_100000724931_100000210134 [0,2,0,0,0,0|2,0,0]=4 25684 B13R1.674 CC(NCCF)c1ccccc1Cl 34a_100000174978_100011217306 [0,2,0,0,0,0|2,0,0]=4 25685 B13R1.674 CC(NCCF)c1ccccc1F 2230a_100000181408_100011217306 [0,2,0,0,0,0|2,0,0]=4 25686 B13R1.674 CC(NCCF)c1ccccc1F 269862a_100000724931_100000210632 [0,2,0,0,0,0|2,0,0]=4 25687 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000181408_100011217306 [0,2,0,0,0,0|2,0,0]=4 25688 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000724931_200000741388 [0,2,0,0,0,0|2,0,0]=4 25689 B13R1.674 CC(NCCF)c1ccccc1I 269862a_100000724931_100000751169 [0,2,0,0,0,0|2,0,0]=4 25690 B13R1.674 CC(NCCO)c1ccccc1Br 2230a_100000181357_100000211926 [0,2,0,0,0,0|2,0,0]=4 25691 B13R1.674 CC(NCCO)c1ccccc1Br 269862a_100000210304_100000187085 [0,2,0,0,0,0|2,0,0]=4 25692 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 25693 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100016997473_100000181259 [0,2,0,0,0,0|2,0,0]=4 25694 B13R1.674 CC(NCCO)c1ccccc1Cl 269862a_100000210304_100000210134 [0,2,0,0,0,0|2,0,0]=4 25695 B13R1.674 CC(NCCO)c1ccccc1Cl 34a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 25696 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100000181408_100000211926 [0,2,0,0,0,0|2,0,0]=4 25697 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100016997473_200000741388 [0,2,0,0,0,0|2,0,0]=4 25698 B13R1.674 CC(NCCO)c1ccccc1F 269862a_100000210304_100000210632 [0,2,0,0,0,0|2,0,0]=4 25699 B13R1.674 CC(NCCO)c1ccccc1F 34a_100000181408_100000211926 [0,2,0,0,0,0|2,0,0]=4 25700 B13R1.674 CC(NCCO)c1ccccc1F 34a_100016990907_200000741388 [0,2,0,0,0,0|2,0,0]=4 25701 B13R1.674 CC(NCCO)c1ccccc1I 269862a_100000210304_100000751169 [0,2,0,0,0,0|2,0,0]=4 25702 B13R1.674 CC(OCCBr)c1ccccc1F 34a_100000211926_200000741388 [0,2,0,0,0,0|2,0,0]=4 25703 B13R1.674 CC(OCCF)c1ccccc1Br 34a_100000702211_100011217306 [0,2,0,0,0,0|2,0,0]=4 25704 B13R1.674 CC(OCCF)c1ccccc1Br 7a_100000702211_100011217306 [0,2,0,0,0,0|2,0,0]=4 25705 B13R1.674 CC(OCCF)c1ccccc1Cl 34a_100000740796_100011217306 [0,2,0,0,0,0|2,0,0]=4 25706 B13R1.674 CC(OCCF)c1ccccc1Cl 7a_100000740796_100011217306 [0,2,0,0,0,0|2,0,0]=4 25707 B13R1.674 CC(OCCF)c1ccccc1F 34a_100000697922_100011217306 [0,2,0,0,0,0|2,0,0]=4 25708 B13R1.674 CC(OCCF)c1ccccc1F 7a_100000697922_100011217306 [0,2,0,0,0,0|2,0,0]=4 25709 B13R1.674 CC(OCCF)c1ccccc1N 7a_100011405641_100011217306 [0,2,0,0,0,0|2,0,0]=4 25710 B13R1.674 CC(OCCN)c1ccccc1F 34a_100000210304_200000741388 [0,2,0,0,0,0|1,0,0]=3 25711 B13R1.674 CC(OCCO)c1ccccc1Br 34a_100000702211_100000211926 [0,2,0,0,0,0|2,0,0]=4 25712 B13R1.674 CC(OCCO)c1ccccc1Br 7a_100000702211_100000211926 [0,2,0,0,0,0|2,0,0]=4 25713 B13R1.674 CC(OCCO)c1ccccc1Cl 34a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 25714 B13R1.674 CC(OCCO)c1ccccc1Cl 7a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 25715 B13R1.674 CC(OCCO)c1ccccc1F 34a_100000697922_100000211926 [0,2,0,0,0,0|2,0,0]=4 25716 B13R1.674 CC(OCCO)c1ccccc1F 7a_100000697922_100000211926 [0,2,0,0,0,0|2,0,0]=4 25717 B13R1.674 CC(OCCO)c1ccccc1N 7a_100011405641_100000211926 [0,2,0,0,0,0|2,0,0]=4 25718 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100000181259_100011217306 [0,2,0,0,0,0|2,0,0]=4 25719 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100011217306_100000181259 [0,2,0,0,0,0|2,0,0]=4 25720 B13R1.674 CC(SCCF)c1ccccc1F 62a_100011217306_200000741388 [0,2,0,0,0,0|2,0,0]=4 25721 B13R1.674 CC(SCCF)c1ccccc1F 62a_200000741388_100011217306 [0,2,0,0,0,0|2,0,0]=4 25722 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000181259_100000211926 [0,2,0,0,0,0|2,0,0]=4 25723 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000211926_100000181259 [0,2,0,0,0,0|2,0,0]=4 25724 B13R1.674 CC(SCCO)c1ccccc1F 62a_100000211926_200000741388 [0,2,0,0,0,0|2,0,0]=4 25725 B13R1.674 CC(SCCO)c1ccccc1F 62a_200000741388_100000211926 [0,2,0,0,0,0|2,0,0]=4 25726 B13R1.674 CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210211 [0,2,0,0,0,0|1,0,1]=4 25727 B13R1.674 CCCCC(=O)c1ccccc1C 1458a_100000212026_100000210211 [0,2,0,0,0,0|1,0,1]=4 25728 B13R1.674 CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210211 [0,2,0,0,0,0|1,0,1]=4 25729 B13R1.674 CCCCC(=O)c1ccccc1F 1458a_100000188656_100000210211 [0,2,0,0,0,0|1,0,1]=4 25730 B13R1.674 CCCCC(=O)c1ccccc1I 1458a_100000187884_100000210211 [0,2,0,0,0,0|1,0,1]=4 25731 B13R1.674 CCCCC(=O)c1ccccc1O 1458a_100015234032_100000210211 [0,2,0,0,0,0|1,0,1]=4 25732 B13R1.674 CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210211 [0,2,0,0,0,0|1,0,1]=4 25733 B13R1.674 CCCCN(C)c1ccccc1Br 2230a_100020606079_100000210211 [0,2,0,0,0,0|2,0,0]=4 25734 B13R1.674 CCCCN(C)c1ccccc1Br 269982a_100020606079_100000210211 [0,2,0,0,0,0|2,0,0]=4 25735 B13R1.674 CCCCN(C)c1ccccc1Br 34a_100020606079_100000210210 [0,2,0,0,0,0|2,0,0]=4 25736 B13R1.674 CCCCN(C)c1ccccc1C 2230a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 25737 B13R1.674 CCCCN(C)c1ccccc1C 269982a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 25738 B13R1.674 CCCCN(C)c1ccccc1C 34a_100000219699_100000210210 [0,2,0,0,0,0|2,0,0]=4 25739 B13R1.674 CCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210211 [0,2,0,0,0,0|2,0,0]=4 25740 B13R1.674 CCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210211 [0,2,0,0,0,0|2,0,0]=4 25741 B13R1.674 CCCCN(C)c1ccccc1Cl 34a_100000219374_100000210210 [0,2,0,0,0,0|2,0,0]=4 25742 B13R1.674 CCCCN(C)c1ccccc1F 2230a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 25743 B13R1.674 CCCCN(C)c1ccccc1F 269982a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 25744 B13R1.674 CCCCN(C)c1ccccc1F 34a_100000220357_100000210210 [0,2,0,0,0,0|2,0,0]=4 25745 B13R1.674 CCCCN(C)c1ccccc1F 38a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 25746 B13R1.674 CCCCN(C)c1ccccc1O 269982a_100000033821_100000210211 [0,2,0,0,0,0|2,0,0]=4 25747 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,2,0,0,0,0|2,0,0]=4 25748 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,2,0,0,0,0|2,0,0]=4 25749 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 25750 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,2,0,0,0,0|2,0,0]=4 25751 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 25752 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,2,0,0,0,0|2,0,0]=4 25753 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,2,0,0,0,0|2,0,0]=4 25754 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,2,0,0,0,0|2,0,0]=4 25755 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,2,0,0,0,0|2,0,0]=4 25756 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,2,0,0,0,0|2,0,0]=4 25757 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,2,0,0,0,0|2,0,0]=4 25758 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,2,0,0,0,0|2,0,0]=4 25759 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,2,0,0,0,0|2,0,0]=4 25760 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,2,0,0,0,0|2,0,0]=4 25761 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,2,0,0,0,0|2,0,0]=4 25762 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,2,0,0,0,0|2,0,0]=4 25763 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 25764 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 25765 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,2,0,0,0,0|2,0,0]=4 25766 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,2,0,0,0,0|2,0,0]=4 25767 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,2,0,0,0,0|2,0,0]=4 25768 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,2,0,0,0,0|2,0,0]=4 25769 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,2,0,0,0,0|2,0,0]=4 25770 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,2,0,0,0,0|2,0,0]=4 25771 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,2,0,0,0,0|2,0,0]=4 25772 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,2,0,0,0,0|2,0,0]=4 25773 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,2,0,0,0,0|2,0,0]=4 25774 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,2,0,0,0,0|2,0,0]=4 25775 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [0,2,0,0,0,0|2,0,0]=4 25776 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [0,2,0,0,0,0|2,0,0]=4 25777 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|2,0,0]=4 25778 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 25779 B13R1.674 CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 25780 B13R1.674 CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 25781 B13R1.674 CN(CCCF)c1ccccc1Br 2230a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 25782 B13R1.674 CN(CCCF)c1ccccc1Br 269982a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 25783 B13R1.674 CN(CCCF)c1ccccc1Br 34a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 25784 B13R1.674 CN(CCCF)c1ccccc1Cl 2230a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 25785 B13R1.674 CN(CCCF)c1ccccc1Cl 269982a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 25786 B13R1.674 CN(CCCF)c1ccccc1Cl 34a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 25787 B13R1.674 CN(CCCF)c1ccccc1F 2230a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 25788 B13R1.674 CN(CCCF)c1ccccc1F 269982a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 25789 B13R1.674 CN(CCCF)c1ccccc1F 34a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 25790 B13R1.674 CN(CCCF)c1ccccc1F 38a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 25791 B13R1.674 CN(CCCF)c1ccccc1O 269982a_100000033821_100011934791 [0,2,0,0,0,0|2,0,0]=4 25792 B13R1.674 CN(CCCO)c1ccccc1Br 2230a_100020606079_100000230001 [0,2,0,0,0,0|2,0,0]=4 25793 B13R1.674 CN(CCCO)c1ccccc1Br 269982a_100020606079_100011215043 [0,2,0,0,0,0|2,0,0]=4 25794 B13R1.674 CN(CCCO)c1ccccc1Br 34a_100020606079_100000230001 [0,2,0,0,0,0|2,0,0]=4 25795 B13R1.674 CN(CCCO)c1ccccc1Cl 2230a_100000219374_100000230001 [0,2,0,0,0,0|2,0,0]=4 25796 B13R1.674 CN(CCCO)c1ccccc1Cl 269982a_100000219374_100011215043 [0,2,0,0,0,0|2,0,0]=4 25797 B13R1.674 CN(CCCO)c1ccccc1Cl 34a_100000219374_100000230001 [0,2,0,0,0,0|2,0,0]=4 25798 B13R1.674 CN(CCCO)c1ccccc1F 2230a_100000220357_100000230001 [0,2,0,0,0,0|2,0,0]=4 25799 B13R1.674 CN(CCCO)c1ccccc1F 269982a_100000220357_100011215043 [0,2,0,0,0,0|2,0,0]=4 25800 B13R1.674 CN(CCCO)c1ccccc1F 34a_100000220357_100000230001 [0,2,0,0,0,0|2,0,0]=4 25801 B13R1.674 CN(CCCO)c1ccccc1O 269982a_100000033821_100011215043 [0,2,0,0,0,0|2,0,0]=4 25802 B13R1.674 COCCC(N)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 25803 B13R1.674 COCCC(N)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 25804 B13R1.674 C[C@@H](NCCF)c1ccccc1O 2230a_100025703389_100011217306 [0,2,0,0,0,0|2,0,0]=4 25805 B13R1.674 C[C@@H](NCCO)c1ccccc1O 2230a_100025703389_100000211926 [0,2,0,0,0,0|2,0,0]=4 25806 B13R1.674 Cc1ccccc1C(=O)CCCF 1458a_100000212026_100011934791 [0,2,0,0,0,0|1,0,1]=4 25807 B13R1.674 Cc1ccccc1C(=O)CCCO 1458a_100000212026_100011215043 [0,2,0,0,0,0|1,0,1]=4 25808 B13R1.674 Cc1ccccc1C(C)NCCF 2230a_100000181355_100011217306 [0,2,0,0,0,0|2,0,0]=4 25809 B13R1.674 Cc1ccccc1C(C)NCCF 269862a_100000724931_100000211656 [0,2,0,0,0,0|2,0,0]=4 25810 B13R1.674 Cc1ccccc1C(C)NCCF 34a_100000181355_100011217306 [0,2,0,0,0,0|2,0,0]=4 25811 B13R1.674 Cc1ccccc1C(C)NCCO 2230a_100000181355_100000211926 [0,2,0,0,0,0|2,0,0]=4 25812 B13R1.674 Cc1ccccc1C(C)NCCO 269862a_100000210304_100000211656 [0,2,0,0,0,0|2,0,0]=4 25813 B13R1.674 Cc1ccccc1C(C)NCCO 34a_100000181355_100000211926 [0,2,0,0,0,0|2,0,0]=4 25814 B13R1.674 Cc1ccccc1C(C)OCCF 34a_100000742021_100011217306 [0,2,0,0,0,0|2,0,0]=4 25815 B13R1.674 Cc1ccccc1C(C)OCCF 7a_100000742021_100011217306 [0,2,0,0,0,0|2,0,0]=4 25816 B13R1.674 Cc1ccccc1C(C)OCCO 34a_100000742021_100000211926 [0,2,0,0,0,0|2,0,0]=4 25817 B13R1.674 Cc1ccccc1C(C)OCCO 7a_100000742021_100000211926 [0,2,0,0,0,0|2,0,0]=4 25818 B13R1.674 Cc1ccccc1N(C)CCCF 2230a_100000219699_100011934791 [0,2,0,0,0,0|2,0,0]=4 25819 B13R1.674 Cc1ccccc1N(C)CCCF 269982a_100000219699_100011934791 [0,2,0,0,0,0|2,0,0]=4 25820 B13R1.674 Cc1ccccc1N(C)CCCF 34a_100000219699_100011934791 [0,2,0,0,0,0|2,0,0]=4 25821 B13R1.674 Cc1ccccc1N(C)CCCO 2230a_100000219699_100000230001 [0,2,0,0,0,0|2,0,0]=4 25822 B13R1.674 Cc1ccccc1N(C)CCCO 269982a_100000219699_100011215043 [0,2,0,0,0,0|2,0,0]=4 25823 B13R1.674 Cc1ccccc1N(C)CCCO 34a_100000219699_100000230001 [0,2,0,0,0,0|2,0,0]=4 25824 B13R1.674 NC(COCF)c1ccccc1Cl 34a_100138412506_100015361967 [0,2,0,0,0,0|2,0,0]=4 25825 B13R1.674 N[C@@H](COCF)c1ccccc1F 34a_100009818778_100015361967 [0,2,0,0,0,0|2,0,0]=4 25826 B13R1.674 N[C@H](COCF)c1ccccc1Br 34a_100161155918_100015361967 [0,2,0,0,0,0|2,0,0]=4 25827 B13R1.674 O=C(CCCF)c1ccccc1Br 1458a_100000188424_100011934791 [0,2,0,0,0,0|1,0,1]=4 25828 B13R1.674 O=C(CCCF)c1ccccc1Cl 1458a_100000185844_100011934791 [0,2,0,0,0,0|1,0,1]=4 25829 B13R1.674 O=C(CCCF)c1ccccc1F 1458a_100000188656_100011934791 [0,2,0,0,0,0|1,0,1]=4 25830 B13R1.674 O=C(CCCF)c1ccccc1I 1458a_100000187884_100011934791 [0,2,0,0,0,0|1,0,1]=4 25831 B13R1.674 O=C(CCCF)c1ccccc1O 1458a_100015234032_100011934791 [0,2,0,0,0,0|1,0,1]=4 25832 B13R1.674 O=C(CCCF)c1ccccc1[O-] 1458a_100009911694_100011934791 [0,2,0,0,0,0|1,0,1]=4 25833 B13R1.674 O=C(CCCO)c1ccccc1Br 1458a_100000188424_100011215043 [0,2,0,0,0,0|1,0,1]=4 25834 B13R1.674 O=C(CCCO)c1ccccc1Cl 1458a_100000185844_100011215043 [0,2,0,0,0,0|1,0,1]=4 25835 B13R1.674 O=C(CCCO)c1ccccc1F 1458a_100000188656_100011215043 [0,2,0,0,0,0|1,0,1]=4 25836 B13R1.674 O=C(CCCO)c1ccccc1I 1458a_100000187884_100011215043 [0,2,0,0,0,0|1,0,1]=4 25837 B13R1.674 O=C(CCCO)c1ccccc1O 1458a_100015234032_100011215043 [0,2,0,0,0,0|1,0,1]=4 25838 B13R1.674 O=C(CCCO)c1ccccc1[O-] 1458a_100009911694_100011215043 [0,2,0,0,0,0|1,0,1]=4 25839 B13R1.674 OC(CNCF)c1ccccc1Cl 34a_200000759403_100015361967 [0,2,0,0,0,0|2,0,0]=4 25840 B13R1.674 [13CH3]OCCC(N)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 25841 B13R1.674 [13CH3]OCCC(N)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 25842 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,2,0,0,0,0|2,0,0]=4 25843 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,2,0,0,0,0|2,0,0]=4 25844 B13R1.79 C#CC(Cc1ccccc1)OCF 34a_100000685211_100015361967 [0,2,0,0,0,0|2,0,0]=4 25845 B13R1.79 C#CC(Cc1ccccc1)OCF 7a_100000685211_100015361967 [0,2,0,0,0,0|2,0,0]=4 25846 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,2,0,0,0,0|2,0,0]=4 25847 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,2,0,0,0,0|2,0,0]=4 25848 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,2,0,0,0,0|2,0,0]=4 25849 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,2,0,0,0,0|2,0,0]=4 25850 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000184400_100000210202 [0,2,0,0,0,0|2,0,0]=4 25851 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000186914_100000210303 [0,2,0,0,0,0|2,0,0]=4 25852 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000226822_100015291786 [0,2,0,0,0,0|2,0,0]=4 25853 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000184400_100000204670 [0,2,0,0,0,0|2,0,0]=4 25854 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000186914_100000210303 [0,2,0,0,0,0|2,0,0]=4 25855 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000226822_100000211182 [0,2,0,0,0,0|2,0,0]=4 25856 B13R1.79 CCCN(CC)Cc1ccccc1 270004a_100000226822_100015611070 [0,2,0,0,0,0|2,0,0]=4 25857 B13R1.79 CCCN(CF)Cc1ccccc1 269982a_100000184400_100015361967 [0,2,0,0,0,0|2,0,0]=4 25858 B13R1.79 CCN(CCF)Cc1ccccc1 2230a_100000186914_100011217306 [0,2,0,0,0,0|2,0,0]=4 25859 B13R1.79 CCN(CCF)Cc1ccccc1 269982a_100000186914_100011217306 [0,2,0,0,0,0|2,0,0]=4 25860 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000180844_100000210202 [0,2,0,0,0,0|2,0,0]=4 25861 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000186914_100000211926 [0,2,0,0,0,0|2,0,0]=4 25862 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000210973_100015291786 [0,2,0,0,0,0|2,0,0]=4 25863 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000180844_100000204670 [0,2,0,0,0,0|2,0,0]=4 25864 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000186914_100000211926 [0,2,0,0,0,0|2,0,0]=4 25865 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000210973_100000211182 [0,2,0,0,0,0|2,0,0]=4 25866 B13R1.79 CCN(CCO)Cc1ccccc1 270004a_100000210973_100015611070 [0,2,0,0,0,0|2,0,0]=4 25867 B13R1.79 CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210202 [0,2,0,0,0,0|2,0,0]=4 25868 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,2,0,0,0,0|2,0,0]=4 25869 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,2,0,0,0,0|2,0,0]=4 25870 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,2,0,0,0,0|2,0,0]=4 25871 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,2,0,0,0,0|2,0,0]=4 25872 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,2,0,0,0,0|2,0,0]=4 25873 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000183401_100000210202 [0,2,0,0,0,0|2,0,0]=4 25874 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000210202_100000183401 [0,2,0,0,0,0|2,0,0]=4 25875 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,2,0,0,0,0|2,0,0]=4 25876 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|2,0,0]=4 25877 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,2,0,0,0,0|2,0,0]=4 25878 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,2,0,0,0,0|2,0,0]=4 25879 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,2,0,0,0,0|2,0,0]=4 25880 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,2,0,0,0,0|2,0,0]=4 25881 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|2,0,0]=4 25882 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,2,0,0,0,0|2,0,0]=4 25883 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [0,2,0,0,0,0|2,0,0]=4 25884 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100000183401_100015361967 [0,2,0,0,0,0|2,0,0]=4 25885 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100015361967_100000183401 [0,2,0,0,0,0|2,0,0]=4 25886 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [0,2,0,0,0,0|2,0,0]=4 25887 B13R1.79 OCCN(CF)Cc1ccccc1 269982a_100000180844_100015361967 [0,2,0,0,0,0|2,0,0]=4 25888 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|2,0,0]=4 25889 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,2,0,0,0,0|2,0,0]=4 25890 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,2,0,0,0,0|2,0,0]=4 25891 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|2,0,0]=4 25892 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,2,0,0,0,0|1,0,1]=4 25893 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,2,0,0,0,0|2,0,0]=4 25894 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,2,0,0,0,0|2,0,0]=4 25895 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,2,0,0,0,0|2,0,0]=4 25896 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,2,0,0,0,0|2,0,0]=4 25897 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,2,0,0,0,0|2,0,0]=4 25898 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000210760 [0,2,0,0,0,0|2,0,0]=4 25899 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 25900 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000747067_100015291786 [0,2,0,0,0,0|2,0,0]=4 25901 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000210624 [0,2,0,0,0,0|2,0,0]=4 25902 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 25903 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000747067_100000211182 [0,2,0,0,0,0|2,0,0]=4 25904 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000210432 [0,2,0,0,0,0|2,0,0]=4 25905 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000747067_100015611070 [0,2,0,0,0,0|2,0,0]=4 25906 B13R1.348 CC(C)CN(C)Cc1ccccc1 34a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 25907 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 2230a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 25908 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 269982a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 25909 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 34a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 25910 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,2,0,0,0,0|2,0,0]=4 25911 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,2,0,0,0,0|2,0,0]=4 25912 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,2,0,0,0,0|2,0,0]=4 25913 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,2,0,0,0,0|2,0,0]=4 25914 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,2,0,0,0,0|2,0,0]=4 25915 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,2,0,0,0,0|2,0,0]=4 25916 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 25917 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 25918 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,2,0,0,0,0|2,0,0]=4 25919 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 25920 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 25921 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,2,0,0,0,0|2,0,0]=4 25922 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,2,0,0,0,0|2,0,0]=4 25923 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 25924 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 25925 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,2,0,0,0,0|2,0,0]=4 25926 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,2,0,0,0,0|2,0,0]=4 25927 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,2,0,0,0,0|1,0,1]=4 25928 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,2,0,0,0,0|1,0,1]=4 25929 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,2,0,0,0,0|1,0,1]=4 25930 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,2,0,0,0,0|1,0,1]=4 25931 B13R1.348 CN(Cc1ccccc1)CC(F)F 2230a_100000186898_100011934356 [0,2,0,0,0,0|2,0,0]=4 25932 B13R1.348 CN(Cc1ccccc1)CC(F)F 269982a_100000186898_100011934356 [0,2,0,0,0,0|2,0,0]=4 25933 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,2,0,0,0,0|1,0,1]=4 25934 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 25935 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 25936 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,2,0,0,0,0|0,0,2]=4 25937 B13R1.470 CC(CCO)Nc1ccccc1Br 34a_100000210017_100009893172 [0,2,0,0,0,0|2,0,0]=4 25938 B13R1.470 CC(CCO)Nc1ccccc1Cl 34a_100000185783_100009893172 [0,2,0,0,0,0|2,0,0]=4 25939 B13R1.470 CC(CCO)Nc1ccccc1F 34a_100000210422_100009893172 [0,2,0,0,0,0|2,0,0]=4 25940 B13R1.470 CC(CCO)Nc1ccccc1I 34a_100000210053_100009893172 [0,2,0,0,0,0|2,0,0]=4 25941 B13R1.470 CC(CCO)Nc1ccccc1O 34a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 25942 B13R1.470 CC(CCO)Oc1ccccc1Br 34a_100000181306_100009893172 [0,2,0,0,0,0|2,0,0]=4 25943 B13R1.470 CC(CCO)Oc1ccccc1Br 7a_100000181306_100009893172 [0,2,0,0,0,0|2,0,0]=4 25944 B13R1.470 CC(CCO)Oc1ccccc1Cl 34a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 25945 B13R1.470 CC(CCO)Oc1ccccc1Cl 7a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 25946 B13R1.470 CC(CCO)Oc1ccccc1F 34a_100000210171_100009893172 [0,2,0,0,0,0|2,0,0]=4 25947 B13R1.470 CC(CCO)Oc1ccccc1F 7a_100000210171_100009893172 [0,2,0,0,0,0|2,0,0]=4 25948 B13R1.470 CC(CCO)Oc1ccccc1I 34a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 25949 B13R1.470 CC(CCO)Oc1ccccc1I 7a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 25950 B13R1.470 CC(CCO)Oc1ccccc1N 34a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 25951 B13R1.470 CC(CCO)Oc1ccccc1N 7a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 25952 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100000695589_100009893172 [0,2,0,0,0,0|2,0,0]=4 25953 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100009893172_100000695589 [0,2,0,0,0,0|2,0,0]=4 25954 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100000764095_100009893172 [0,2,0,0,0,0|2,0,0]=4 25955 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100009893172_100000764095 [0,2,0,0,0,0|2,0,0]=4 25956 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100009893172_100011215700 [0,2,0,0,0,0|2,0,0]=4 25957 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100011215700_100009893172 [0,2,0,0,0,0|2,0,0]=4 25958 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100000210017_100009893172 [0,2,0,0,0,0|2,0,0]=4 25959 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100009893172_100000210017 [0,2,0,0,0,0|2,0,0]=4 25960 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 25961 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100009893172_100000739446 [0,2,0,0,0,0|2,0,0]=4 25962 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000211992_100000184730 [0,2,0,0,0,0|1,0,1]=4 25963 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210303 [0,2,0,0,0,0|1,0,1]=4 25964 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [0,2,0,0,0,0|1,0,1]=4 25965 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [0,2,0,0,0,0|1,0,1]=4 25966 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210303 [0,2,0,0,0,0|1,0,1]=4 25967 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000211992_100000187162 [0,2,0,0,0,0|1,0,1]=4 25968 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000211992_100000187165 [0,2,0,0,0,0|1,0,1]=4 25969 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210303 [0,2,0,0,0,0|1,0,1]=4 25970 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210303 [0,2,0,0,0,0|1,0,1]=4 25971 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000211992_100011216222 [0,2,0,0,0,0|1,0,1]=4 25972 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,2,0,0,0,0|1,0,1]=4 25973 B13R1.470 CCCC(C)Nc1ccccc1Br 34a_100000210017_100000766640 [0,2,0,0,0,0|2,0,0]=4 25974 B13R1.470 CCCC(C)Nc1ccccc1C 34a_100015192222_100000766640 [0,2,0,0,0,0|2,0,0]=4 25975 B13R1.470 CCCC(C)Nc1ccccc1Cl 34a_100000185783_100000766640 [0,2,0,0,0,0|2,0,0]=4 25976 B13R1.470 CCCC(C)Nc1ccccc1F 34a_100000210422_100000766640 [0,2,0,0,0,0|2,0,0]=4 25977 B13R1.470 CCCC(C)Nc1ccccc1I 34a_100000210053_100000766640 [0,2,0,0,0,0|2,0,0]=4 25978 B13R1.470 CCCC(C)Nc1ccccc1O 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 25979 B13R1.470 CCCC(C)Oc1ccccc1Br 34a_100000181306_100000766640 [0,2,0,0,0,0|2,0,0]=4 25980 B13R1.470 CCCC(C)Oc1ccccc1Br 7a_100000181306_100000766640 [0,2,0,0,0,0|2,0,0]=4 25981 B13R1.470 CCCC(C)Oc1ccccc1C 34a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 25982 B13R1.470 CCCC(C)Oc1ccccc1C 7a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 25983 B13R1.470 CCCC(C)Oc1ccccc1Cl 34a_100000210172_100000766640 [0,2,0,0,0,0|2,0,0]=4 25984 B13R1.470 CCCC(C)Oc1ccccc1Cl 7a_100000210172_100000766640 [0,2,0,0,0,0|2,0,0]=4 25985 B13R1.470 CCCC(C)Oc1ccccc1F 34a_100000210171_100000766640 [0,2,0,0,0,0|2,0,0]=4 25986 B13R1.470 CCCC(C)Oc1ccccc1F 7a_100000210171_100000766640 [0,2,0,0,0,0|2,0,0]=4 25987 B13R1.470 CCCC(C)Oc1ccccc1I 34a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 25988 B13R1.470 CCCC(C)Oc1ccccc1I 7a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 25989 B13R1.470 CCCC(C)Oc1ccccc1N 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 25990 B13R1.470 CCCC(C)Oc1ccccc1N 7a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 25991 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000695589_100000766640 [0,2,0,0,0,0|2,0,0]=4 25992 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000766640_100000695589 [0,2,0,0,0,0|2,0,0]=4 25993 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000210755_100000766640 [0,2,0,0,0,0|2,0,0]=4 25994 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000766640_100000210755 [0,2,0,0,0,0|2,0,0]=4 25995 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000764095_100000766640 [0,2,0,0,0,0|2,0,0]=4 25996 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000766640_100000764095 [0,2,0,0,0,0|2,0,0]=4 25997 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100000766640_100011215700 [0,2,0,0,0,0|2,0,0]=4 25998 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100011215700_100000766640 [0,2,0,0,0,0|2,0,0]=4 25999 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000210017_100000766640 [0,2,0,0,0,0|2,0,0]=4 26000 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000766640_100000210017 [0,2,0,0,0,0|2,0,0]=4 26001 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 26002 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000766640_100000739446 [0,2,0,0,0,0|2,0,0]=4 26003 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210303 [0,2,0,0,0,0|2,0,0]=4 26004 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 26005 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000747261_100000184730 [0,2,0,0,0,0|2,0,0]=4 26006 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210303 [0,2,0,0,0,0|2,0,0]=4 26007 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 26008 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000747261_100000184730 [0,2,0,0,0,0|2,0,0]=4 26009 B13R1.470 CCCN(C)Cc1ccccc1Br 26a_100000747261_100000181306 [0,2,0,0,0,0|2,0,0]=4 26010 B13R1.470 CCCN(C)Cc1ccccc1Br 270004a_100000747261_100000211189 [0,2,0,0,0,0|2,0,0]=4 26011 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 26012 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 26013 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 26014 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 26015 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 26016 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 26017 B13R1.470 CCCN(C)Cc1ccccc1C 270004a_100000747261_100000211143 [0,2,0,0,0,0|2,0,0]=4 26018 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210303 [0,2,0,0,0,0|2,0,0]=4 26019 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000747261_100000187162 [0,2,0,0,0,0|2,0,0]=4 26020 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 26021 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210303 [0,2,0,0,0,0|2,0,0]=4 26022 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000747261_100000187162 [0,2,0,0,0,0|2,0,0]=4 26023 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 26024 B13R1.470 CCCN(C)Cc1ccccc1Cl 26a_100000747261_100000210172 [0,2,0,0,0,0|2,0,0]=4 26025 B13R1.470 CCCN(C)Cc1ccccc1Cl 270004a_100000747261_100000210073 [0,2,0,0,0,0|2,0,0]=4 26026 B13R1.470 CCCN(C)Cc1ccccc1Cl 34a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 26027 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 26028 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000747261_100000211605 [0,2,0,0,0,0|2,0,0]=4 26029 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 26030 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 26031 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000747261_100000211605 [0,2,0,0,0,0|2,0,0]=4 26032 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 26033 B13R1.470 CCCN(C)Cc1ccccc1F 270004a_100000747261_100000210811 [0,2,0,0,0,0|2,0,0]=4 26034 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 26035 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 26036 B13R1.470 CCCN(C)Cc1ccccc1I 2230a_100000747261_100011215278 [0,2,0,0,0,0|2,0,0]=4 26037 B13R1.470 CCCN(C)Cc1ccccc1I 269982a_100000747261_100011215278 [0,2,0,0,0,0|2,0,0]=4 26038 B13R1.470 CCCN(C)Cc1ccccc1I 270004a_100000747261_100000010305 [0,2,0,0,0,0|2,0,0]=4 26039 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 26040 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 26041 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 26042 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 26043 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 2230a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 26044 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 269982a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 26045 B13R1.470 CCCN([13CH3])Cc1ccccc1C 2230a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 26046 B13R1.470 CCCN([13CH3])Cc1ccccc1C 269982a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 26047 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 2230a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 26048 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 269982a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 26049 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 34a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 26050 B13R1.470 CCCN([13CH3])Cc1ccccc1F 2230a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 26051 B13R1.470 CCCN([13CH3])Cc1ccccc1F 269982a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 26052 B13R1.470 CCCN([13CH3])Cc1ccccc1F 34a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 26053 B13R1.470 CCCN([13CH3])Cc1ccccc1O 2230a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 26054 B13R1.470 CCCN([13CH3])Cc1ccccc1O 269982a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 26055 B13R1.470 CCNC(C)Cc1ccccc1Br 270004a_100015525214_100011350739 [0,2,0,0,0,0|2,0,0]=4 26056 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,2,0,0,0,0|2,0,0]=4 26057 B13R1.470 CCNC(C)Cc1ccccc1Cl 270004a_100015525214_100000758791 [0,2,0,0,0,0|2,0,0]=4 26058 B13R1.470 CCNC(C)Cc1ccccc1F 270004a_100015525214_100000709178 [0,2,0,0,0,0|2,0,0]=4 26059 B13R1.470 CN(CCF)Cc1ccccc1Br 2230a_100000184654_100011217306 [0,2,0,0,0,0|2,0,0]=4 26060 B13R1.470 CN(CCF)Cc1ccccc1Br 269982a_100000184654_100011217306 [0,2,0,0,0,0|2,0,0]=4 26061 B13R1.470 CN(CCF)Cc1ccccc1Cl 2230a_100000184507_100011217306 [0,2,0,0,0,0|2,0,0]=4 26062 B13R1.470 CN(CCF)Cc1ccccc1Cl 269982a_100000184507_100011217306 [0,2,0,0,0,0|2,0,0]=4 26063 B13R1.470 CN(CCF)Cc1ccccc1F 2230a_100000742528_100011217306 [0,2,0,0,0,0|2,0,0]=4 26064 B13R1.470 CN(CCF)Cc1ccccc1F 269982a_100000742528_100011217306 [0,2,0,0,0,0|2,0,0]=4 26065 B13R1.470 CN(CCF)Cc1ccccc1F 34a_100000742528_100011217306 [0,2,0,0,0,0|2,0,0]=4 26066 B13R1.470 CN(CCF)Cc1ccccc1O 2230a_100015189988_100011217306 [0,2,0,0,0,0|2,0,0]=4 26067 B13R1.470 CN(CCF)Cc1ccccc1O 269982a_100015189988_100011217306 [0,2,0,0,0,0|2,0,0]=4 26068 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000184654_100000211926 [0,2,0,0,0,0|2,0,0]=4 26069 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000210263_100000184730 [0,2,0,0,0,0|2,0,0]=4 26070 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 26071 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000184654_100000211926 [0,2,0,0,0,0|2,0,0]=4 26072 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000210263_100000184730 [0,2,0,0,0,0|2,0,0]=4 26073 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 26074 B13R1.470 CN(CCO)Cc1ccccc1Br 26a_100000210263_100000181306 [0,2,0,0,0,0|2,0,0]=4 26075 B13R1.470 CN(CCO)Cc1ccccc1Br 270004a_100000210263_100000211189 [0,2,0,0,0,0|2,0,0]=4 26076 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 26077 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 26078 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 26079 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 26080 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 26081 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 26082 B13R1.470 CN(CCO)Cc1ccccc1Cl 26a_100000210263_100000210172 [0,2,0,0,0,0|2,0,0]=4 26083 B13R1.470 CN(CCO)Cc1ccccc1Cl 270004a_100000210263_100000210073 [0,2,0,0,0,0|2,0,0]=4 26084 B13R1.470 CN(CCO)Cc1ccccc1Cl 34a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 26085 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000210263_100000211605 [0,2,0,0,0,0|2,0,0]=4 26086 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 26087 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000210263_100000211605 [0,2,0,0,0,0|2,0,0]=4 26088 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 26089 B13R1.470 CN(CCO)Cc1ccccc1F 270004a_100000210263_100000210811 [0,2,0,0,0,0|2,0,0]=4 26090 B13R1.470 CN(CCO)Cc1ccccc1F 34a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 26091 B13R1.470 CN(CCO)Cc1ccccc1I 2230a_100000210263_100011215278 [0,2,0,0,0,0|2,0,0]=4 26092 B13R1.470 CN(CCO)Cc1ccccc1I 269982a_100000210263_100011215278 [0,2,0,0,0,0|2,0,0]=4 26093 B13R1.470 CN(CCO)Cc1ccccc1I 270004a_100000210263_100000010305 [0,2,0,0,0,0|2,0,0]=4 26094 B13R1.470 CN(CCO)Cc1ccccc1O 2230a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 26095 B13R1.470 CN(CCO)Cc1ccccc1O 269982a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 26096 B13R1.470 COCC(N)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|2,0,0]=4 26097 B13R1.470 Cc1ccccc1CC(=O)CCF 1458a_100000212180_100011217306 [0,2,0,0,0,0|1,0,1]=4 26098 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100000212180_100000211926 [0,2,0,0,0,0|1,0,1]=4 26099 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100011216618_100000211839 [0,2,0,0,0,0|1,0,1]=4 26100 B13R1.470 Cc1ccccc1CN(C)CCF 2230a_100000184421_100011217306 [0,2,0,0,0,0|2,0,0]=4 26101 B13R1.470 Cc1ccccc1CN(C)CCF 269982a_100000184421_100011217306 [0,2,0,0,0,0|2,0,0]=4 26102 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000184421_100000211926 [0,2,0,0,0,0|2,0,0]=4 26103 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000210263_100000211839 [0,2,0,0,0,0|2,0,0]=4 26104 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000184421_100000211926 [0,2,0,0,0,0|2,0,0]=4 26105 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000210263_100000211839 [0,2,0,0,0,0|2,0,0]=4 26106 B13R1.470 Cc1ccccc1CN(C)CCO 270004a_100000210263_100000211143 [0,2,0,0,0,0|2,0,0]=4 26107 B13R1.470 Cc1ccccc1NC(C)CCO 34a_100015192222_100009893172 [0,2,0,0,0,0|2,0,0]=4 26108 B13R1.470 Cc1ccccc1OC(C)CCO 34a_100000210338_100009893172 [0,2,0,0,0,0|2,0,0]=4 26109 B13R1.470 Cc1ccccc1OC(C)CCO 7a_100000210338_100009893172 [0,2,0,0,0,0|2,0,0]=4 26110 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100000210755_100009893172 [0,2,0,0,0,0|2,0,0]=4 26111 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100009893172_100000210755 [0,2,0,0,0,0|2,0,0]=4 26112 B13R1.470 O=C(CCF)Cc1ccccc1Br 1458a_100000751119_100011217306 [0,2,0,0,0,0|1,0,1]=4 26113 B13R1.470 O=C(CCF)Cc1ccccc1Cl 1458a_100000183793_100011217306 [0,2,0,0,0,0|1,0,1]=4 26114 B13R1.470 O=C(CCF)Cc1ccccc1F 1458a_100000212012_100011217306 [0,2,0,0,0,0|1,0,1]=4 26115 B13R1.470 O=C(CCF)Cc1ccccc1I 1458a_100000036491_100011217306 [0,2,0,0,0,0|1,0,1]=4 26116 B13R1.470 O=C(CCF)Cc1ccccc1O 1458a_100000743006_100011217306 [0,2,0,0,0,0|1,0,1]=4 26117 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100000751119_100000211926 [0,2,0,0,0,0|1,0,1]=4 26118 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100011216618_100000184730 [0,2,0,0,0,0|1,0,1]=4 26119 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100000183793_100000211926 [0,2,0,0,0,0|1,0,1]=4 26120 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100011216618_100000187162 [0,2,0,0,0,0|1,0,1]=4 26121 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100000212012_100000211926 [0,2,0,0,0,0|1,0,1]=4 26122 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100011216618_100000187165 [0,2,0,0,0,0|1,0,1]=4 26123 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100000036491_100000211926 [0,2,0,0,0,0|1,0,1]=4 26124 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100011216618_100011216222 [0,2,0,0,0,0|1,0,1]=4 26125 B13R1.470 O=C(CCO)Cc1ccccc1O 1458a_100000743006_100000211926 [0,2,0,0,0,0|1,0,1]=4 26126 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 2230a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 26127 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 269982a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 26128 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 2230a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 26129 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 269982a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 26130 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 34a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 26131 B13R1.470 [13CH3]OCC(N)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|2,0,0]=4 26132 B13R1.1327 CC(C)(Cc1ccccc1)OCF 7a_100011215222_100015361967 [0,2,0,0,0,0|2,0,0]=4 26133 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,2,0,0,0,0|2,0,0]=4 26134 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,2,0,0,0,0|1,0,1]=4 26135 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,2,0,0,0,0|1,0,1]=4 26136 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,2,0,0,0,0|1,0,1]=4 26137 B13R1.158 CC(Br)COCc1ccccc1Br 34a_100012180447_100000184730 [0,2,0,0,0,0|2,0,0]=4 26138 B13R1.158 CC(Br)COCc1ccccc1Cl 34a_100012180447_100000187162 [0,2,0,0,0,0|2,0,0]=4 26139 B13R1.158 CC(Br)COCc1ccccc1F 34a_100012180447_100000211605 [0,2,0,0,0,0|2,0,0]=4 26140 B13R1.158 CC(Br)COCc1ccccc1I 34a_100012180447_100011215278 [0,2,0,0,0,0|2,0,0]=4 26141 B13R1.158 CC(C)CCNc1ccccc1Br 34a_100000210017_100000210312 [0,2,0,0,0,0|2,0,0]=4 26142 B13R1.158 CC(C)CCNc1ccccc1Cl 34a_100000185783_100000210312 [0,2,0,0,0,0|2,0,0]=4 26143 B13R1.158 CC(C)CCNc1ccccc1F 34a_100000210422_100000210312 [0,2,0,0,0,0|2,0,0]=4 26144 B13R1.158 CC(C)CCNc1ccccc1I 34a_100000210053_100000210312 [0,2,0,0,0,0|2,0,0]=4 26145 B13R1.158 CC(C)CCNc1ccccc1O 34a_100000185747_100000210312 [0,2,0,0,0,0|2,0,0]=4 26146 B13R1.158 CC(C)CCOc1ccccc1Br 34a_100000181306_100000210312 [0,2,0,0,0,0|2,0,0]=4 26147 B13R1.158 CC(C)CCOc1ccccc1Br 7a_100000181306_100000210626 [0,2,0,0,0,0|2,0,0]=4 26148 B13R1.158 CC(C)CCOc1ccccc1Cl 34a_100000210172_100000210312 [0,2,0,0,0,0|2,0,0]=4 26149 B13R1.158 CC(C)CCOc1ccccc1Cl 7a_100000210172_100000210626 [0,2,0,0,0,0|2,0,0]=4 26150 B13R1.158 CC(C)CCOc1ccccc1F 34a_100000210171_100000210312 [0,2,0,0,0,0|2,0,0]=4 26151 B13R1.158 CC(C)CCOc1ccccc1F 7a_100000210171_100000210626 [0,2,0,0,0,0|2,0,0]=4 26152 B13R1.158 CC(C)CCOc1ccccc1I 34a_100000739446_100000210312 [0,2,0,0,0,0|2,0,0]=4 26153 B13R1.158 CC(C)CCOc1ccccc1I 7a_100000739446_100000210626 [0,2,0,0,0,0|2,0,0]=4 26154 B13R1.158 CC(C)CCOc1ccccc1N 34a_100000185747_100000210312 [0,2,0,0,0,0|2,0,0]=4 26155 B13R1.158 CC(C)CCOc1ccccc1N 7a_100000185747_100000210626 [0,2,0,0,0,0|2,0,0]=4 26156 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000210312_100000695589 [0,2,0,0,0,0|2,0,0]=4 26157 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000695589_100000210312 [0,2,0,0,0,0|2,0,0]=4 26158 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000210312_100000764095 [0,2,0,0,0,0|2,0,0]=4 26159 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000764095_100000210312 [0,2,0,0,0,0|2,0,0]=4 26160 B13R1.158 CC(C)CCSc1ccccc1F 62a_100000210312_100011215700 [0,2,0,0,0,0|2,0,0]=4 26161 B13R1.158 CC(C)CCSc1ccccc1F 62a_100011215700_100000210312 [0,2,0,0,0,0|2,0,0]=4 26162 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210017_100000210312 [0,2,0,0,0,0|2,0,0]=4 26163 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210312_100000210017 [0,2,0,0,0,0|2,0,0]=4 26164 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000210312_100000739446 [0,2,0,0,0,0|2,0,0]=4 26165 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000739446_100000210312 [0,2,0,0,0,0|2,0,0]=4 26166 B13R1.158 CC(C)CNCc1ccccc1Br 207a_100000210953_100000211189 [0,2,0,0,0,0|2,0,0]=4 26167 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000210953_100000184730 [0,2,0,0,0,0|2,0,0]=4 26168 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000689332_100000210760 [0,2,0,0,0,0|2,0,0]=4 26169 B13R1.158 CC(C)CNCc1ccccc1Br 26a_100000210953_100000181306 [0,2,0,0,0,0|2,0,0]=4 26170 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000210953_100000211189 [0,2,0,0,0,0|2,0,0]=4 26171 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000689332_100000210432 [0,2,0,0,0,0|2,0,0]=4 26172 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000210953_100000184730 [0,2,0,0,0,0|2,0,0]=4 26173 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000689332_100000210624 [0,2,0,0,0,0|2,0,0]=4 26174 B13R1.158 CC(C)CNCc1ccccc1Cl 207a_100000210953_100000210073 [0,2,0,0,0,0|2,0,0]=4 26175 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000174879_100000210760 [0,2,0,0,0,0|2,0,0]=4 26176 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000210953_100000187162 [0,2,0,0,0,0|2,0,0]=4 26177 B13R1.158 CC(C)CNCc1ccccc1Cl 26a_100000210953_100000210172 [0,2,0,0,0,0|2,0,0]=4 26178 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000174879_100000210432 [0,2,0,0,0,0|2,0,0]=4 26179 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000210953_100000210073 [0,2,0,0,0,0|2,0,0]=4 26180 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000174879_100000210624 [0,2,0,0,0,0|2,0,0]=4 26181 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000210953_100000187162 [0,2,0,0,0,0|2,0,0]=4 26182 B13R1.158 CC(C)CNCc1ccccc1F 207a_100000210953_100000210811 [0,2,0,0,0,0|2,0,0]=4 26183 B13R1.158 CC(C)CNCc1ccccc1F 2230a_100000210953_100000211605 [0,2,0,0,0,0|2,0,0]=4 26184 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000174869_100000210432 [0,2,0,0,0,0|2,0,0]=4 26185 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000210953_100000210811 [0,2,0,0,0,0|2,0,0]=4 26186 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000174869_100000210624 [0,2,0,0,0,0|2,0,0]=4 26187 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000210953_100000211605 [0,2,0,0,0,0|2,0,0]=4 26188 B13R1.158 CC(C)CNCc1ccccc1I 207a_100000210953_100000010305 [0,2,0,0,0,0|2,0,0]=4 26189 B13R1.158 CC(C)CNCc1ccccc1I 2230a_100000210953_100011215278 [0,2,0,0,0,0|2,0,0]=4 26190 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100000210953_100000010305 [0,2,0,0,0,0|2,0,0]=4 26191 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100015347259_100000210432 [0,2,0,0,0,0|2,0,0]=4 26192 B13R1.158 CC(C)CNCc1ccccc1I 34a_100000210953_100011215278 [0,2,0,0,0,0|2,0,0]=4 26193 B13R1.158 CC(C)CNCc1ccccc1O 270004a_100000185550_100000210432 [0,2,0,0,0,0|2,0,0]=4 26194 B13R1.158 CC(C)CNCc1ccccc1O 34a_100000185550_100000210624 [0,2,0,0,0,0|2,0,0]=4 26195 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000210257_100000184730 [0,2,0,0,0,0|2,0,0]=4 26196 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000756307_100000210624 [0,2,0,0,0,0|2,0,0]=4 26197 B13R1.158 CC(C)COCc1ccccc1Br 7a_100000756307_100000210760 [0,2,0,0,0,0|2,0,0]=4 26198 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210257_100000187162 [0,2,0,0,0,0|2,0,0]=4 26199 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210847_100000210624 [0,2,0,0,0,0|2,0,0]=4 26200 B13R1.158 CC(C)COCc1ccccc1Cl 7a_100000210847_100000210760 [0,2,0,0,0,0|2,0,0]=4 26201 B13R1.158 CC(C)COCc1ccccc1F 34a_100000210257_100000211605 [0,2,0,0,0,0|2,0,0]=4 26202 B13R1.158 CC(C)COCc1ccccc1F 34a_100000211962_100000210624 [0,2,0,0,0,0|2,0,0]=4 26203 B13R1.158 CC(C)COCc1ccccc1F 7a_100000211962_100000210760 [0,2,0,0,0,0|2,0,0]=4 26204 B13R1.158 CC(C)COCc1ccccc1I 34a_100000187465_100000210624 [0,2,0,0,0,0|2,0,0]=4 26205 B13R1.158 CC(C)COCc1ccccc1I 34a_100000210257_100011215278 [0,2,0,0,0,0|2,0,0]=4 26206 B13R1.158 CC(C)COCc1ccccc1I 7a_100000187465_100000210760 [0,2,0,0,0,0|2,0,0]=4 26207 B13R1.158 CC(C)COCc1ccccc1N 34a_100000212039_100000210624 [0,2,0,0,0,0|2,0,0]=4 26208 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000184730_100000210760 [0,2,0,0,0,0|2,0,0]=4 26209 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000210624_100000184730 [0,2,0,0,0,0|2,0,0]=4 26210 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000187162_100000210760 [0,2,0,0,0,0|2,0,0]=4 26211 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000210624_100000187162 [0,2,0,0,0,0|2,0,0]=4 26212 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000210624_100000211605 [0,2,0,0,0,0|2,0,0]=4 26213 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000211605_100000210760 [0,2,0,0,0,0|2,0,0]=4 26214 B13R1.158 CC(C)CSCc1ccccc1I 62a_100000210624_100011216222 [0,2,0,0,0,0|2,0,0]=4 26215 B13R1.158 CC(C)CSCc1ccccc1I 62a_100011216222_100000210760 [0,2,0,0,0,0|2,0,0]=4 26216 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100000747383_100000210206 [0,2,0,0,0,0|2,0,0]=4 26217 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100138425928_100012161201 [0,2,0,0,0,0|2,0,0]=4 26218 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100000747383_100000210206 [0,2,0,0,0,0|2,0,0]=4 26219 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100138425928_100012161201 [0,2,0,0,0,0|2,0,0]=4 26220 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100011207228_100000210206 [0,2,0,0,0,0|2,0,0]=4 26221 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100138425928_100011713703 [0,2,0,0,0,0|2,0,0]=4 26222 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100011207228_100000210206 [0,2,0,0,0,0|2,0,0]=4 26223 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100138425928_100011713703 [0,2,0,0,0,0|2,0,0]=4 26224 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100000185272_100000210206 [0,2,0,0,0,0|2,0,0]=4 26225 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100138425928_100011713696 [0,2,0,0,0,0|2,0,0]=4 26226 B13R1.158 CC(C)NCCc1ccccc1F 34a_100000185272_100000210206 [0,2,0,0,0,0|2,0,0]=4 26227 B13R1.158 CC(C)NCCc1ccccc1F 34a_100138425928_100000720011 [0,2,0,0,0,0|2,0,0]=4 26228 B13R1.158 CC(C)NCCc1ccccc1O 34a_100011207237_100000210206 [0,2,0,0,0,0|2,0,0]=4 26229 B13R1.158 CC(C)NCCc1ccccc1O 34a_100138425928_100000722297 [0,2,0,0,0,0|2,0,0]=4 26230 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000212225_100012161201 [0,2,0,0,0,0|2,0,0]=4 26231 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000731337_100000210206 [0,2,0,0,0,0|2,0,0]=4 26232 B13R1.158 CC(C)OCCc1ccccc1Br 7a_100000731337_100000210206 [0,2,0,0,0,0|2,0,0]=4 26233 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100000212225_100011713703 [0,2,0,0,0,0|2,0,0]=4 26234 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100011215284_100000210206 [0,2,0,0,0,0|2,0,0]=4 26235 B13R1.158 CC(C)OCCc1ccccc1Cl 7a_100011215284_100000210206 [0,2,0,0,0,0|2,0,0]=4 26236 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000212225_100000720011 [0,2,0,0,0,0|2,0,0]=4 26237 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000753711_100000210206 [0,2,0,0,0,0|2,0,0]=4 26238 B13R1.158 CC(C)OCCc1ccccc1F 7a_100000753711_100000210206 [0,2,0,0,0,0|2,0,0]=4 26239 B13R1.158 CC(C)OCCc1ccccc1I 34a_100010255290_100000210206 [0,2,0,0,0,0|2,0,0]=4 26240 B13R1.158 CC(C)OCCc1ccccc1I 7a_100010255290_100000210206 [0,2,0,0,0,0|2,0,0]=4 26241 B13R1.158 CC(C)OCCc1ccccc1N 34a_100011215289_100000210206 [0,2,0,0,0,0|2,0,0]=4 26242 B13R1.158 CC(C)OCCc1ccccc1O 34a_100000212225_100000722297 [0,2,0,0,0,0|2,0,0]=4 26243 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100000210206_100012161201 [0,2,0,0,0,0|2,0,0]=4 26244 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100012161201_100000210206 [0,2,0,0,0,0|2,0,0]=4 26245 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100000210206_100011713703 [0,2,0,0,0,0|2,0,0]=4 26246 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100011713703_100000210206 [0,2,0,0,0,0|2,0,0]=4 26247 B13R1.158 CC(C)SCCc1ccccc1F 62a_100000210206_100011713696 [0,2,0,0,0,0|2,0,0]=4 26248 B13R1.158 CC(C)SCCc1ccccc1F 62a_100011713696_100000210206 [0,2,0,0,0,0|2,0,0]=4 26249 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000210206_100000722297 [0,2,0,0,0,0|2,0,0]=4 26250 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000722297_100000210206 [0,2,0,0,0,0|2,0,0]=4 26251 B13R1.158 CC(F)COCc1ccccc1Br 34a_100015925927_100000184730 [0,2,0,0,0,0|2,0,0]=4 26252 B13R1.158 CC(F)COCc1ccccc1Cl 34a_100015925927_100000187162 [0,2,0,0,0,0|2,0,0]=4 26253 B13R1.158 CC(F)COCc1ccccc1F 34a_100015925927_100000211605 [0,2,0,0,0,0|2,0,0]=4 26254 B13R1.158 CC(F)COCc1ccccc1I 34a_100015925927_100011215278 [0,2,0,0,0,0|2,0,0]=4 26255 B13R1.158 CC(O)CCNc1ccccc1Br 34a_100000210017_100012276601 [0,2,0,0,0,0|2,0,0]=4 26256 B13R1.158 CC(O)CCNc1ccccc1Cl 34a_100000185783_100012276601 [0,2,0,0,0,0|2,0,0]=4 26257 B13R1.158 CC(O)CCNc1ccccc1F 34a_100000210422_100012276601 [0,2,0,0,0,0|2,0,0]=4 26258 B13R1.158 CC(O)CCNc1ccccc1I 34a_100000210053_100012276601 [0,2,0,0,0,0|2,0,0]=4 26259 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 26260 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,2,0,0,0,0|2,0,0]=4 26261 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,2,0,0,0,0|2,0,0]=4 26262 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,2,0,0,0,0|2,0,0]=4 26263 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,2,0,0,0,0|2,0,0]=4 26264 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,2,0,0,0,0|2,0,0]=4 26265 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,2,0,0,0,0|2,0,0]=4 26266 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,2,0,0,0,0|2,0,0]=4 26267 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,2,0,0,0,0|2,0,0]=4 26268 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 26269 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 26270 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100000695589_100012276601 [0,2,0,0,0,0|2,0,0]=4 26271 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100012276601_100000695589 [0,2,0,0,0,0|2,0,0]=4 26272 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100000764095_100012276601 [0,2,0,0,0,0|2,0,0]=4 26273 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100012276601_100000764095 [0,2,0,0,0,0|2,0,0]=4 26274 B13R1.158 CC(O)CCSc1ccccc1F 62a_100011215700_100012276601 [0,2,0,0,0,0|2,0,0]=4 26275 B13R1.158 CC(O)CCSc1ccccc1F 62a_100012276601_100011215700 [0,2,0,0,0,0|2,0,0]=4 26276 B13R1.158 CC(O)CCSc1ccccc1N 62a_100000210017_100012276601 [0,2,0,0,0,0|2,0,0]=4 26277 B13R1.158 CC(O)CCSc1ccccc1N 62a_100012276601_100000210017 [0,2,0,0,0,0|2,0,0]=4 26278 B13R1.158 CC(O)CCSc1ccccc1O 62a_100000739446_100012276601 [0,2,0,0,0,0|2,0,0]=4 26279 B13R1.158 CC(O)CCSc1ccccc1O 62a_100012276601_100000739446 [0,2,0,0,0,0|2,0,0]=4 26280 B13R1.158 CC(O)CNCc1ccccc1Br 207a_100000210904_100000211189 [0,2,0,0,0,0|2,0,0]=4 26281 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000210904_100000184730 [0,2,0,0,0,0|2,0,0]=4 26282 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000689332_100011218427 [0,2,0,0,0,0|2,0,0]=4 26283 B13R1.158 CC(O)CNCc1ccccc1Br 270004a_100000210904_100000211189 [0,2,0,0,0,0|2,0,0]=4 26284 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000210904_100000184730 [0,2,0,0,0,0|2,0,0]=4 26285 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000689332_100011218427 [0,2,0,0,0,0|2,0,0]=4 26286 B13R1.158 CC(O)CNCc1ccccc1Cl 207a_100000210904_100000210073 [0,2,0,0,0,0|2,0,0]=4 26287 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000174879_100011218427 [0,2,0,0,0,0|2,0,0]=4 26288 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000210904_100000187162 [0,2,0,0,0,0|2,0,0]=4 26289 B13R1.158 CC(O)CNCc1ccccc1Cl 270004a_100000210904_100000210073 [0,2,0,0,0,0|2,0,0]=4 26290 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000174879_100011218427 [0,2,0,0,0,0|2,0,0]=4 26291 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000210904_100000187162 [0,2,0,0,0,0|2,0,0]=4 26292 B13R1.158 CC(O)CNCc1ccccc1F 207a_100000210904_100000210811 [0,2,0,0,0,0|2,0,0]=4 26293 B13R1.158 CC(O)CNCc1ccccc1F 2230a_100000210904_100000211605 [0,2,0,0,0,0|2,0,0]=4 26294 B13R1.158 CC(O)CNCc1ccccc1F 270004a_100000210904_100000210811 [0,2,0,0,0,0|2,0,0]=4 26295 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000174869_100011218427 [0,2,0,0,0,0|2,0,0]=4 26296 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000210904_100000211605 [0,2,0,0,0,0|2,0,0]=4 26297 B13R1.158 CC(O)CNCc1ccccc1I 207a_100000210904_100000010305 [0,2,0,0,0,0|2,0,0]=4 26298 B13R1.158 CC(O)CNCc1ccccc1I 2230a_100000210904_100011215278 [0,2,0,0,0,0|2,0,0]=4 26299 B13R1.158 CC(O)CNCc1ccccc1I 270004a_100000210904_100000010305 [0,2,0,0,0,0|2,0,0]=4 26300 B13R1.158 CC(O)CNCc1ccccc1I 34a_100000210904_100011215278 [0,2,0,0,0,0|2,0,0]=4 26301 B13R1.158 CC(O)CNCc1ccccc1O 34a_100000185550_100011218427 [0,2,0,0,0,0|2,0,0]=4 26302 B13R1.158 CC(O)COCc1ccccc1Br 34a_100000756307_100011218427 [0,2,0,0,0,0|2,0,0]=4 26303 B13R1.158 CC(O)COCc1ccccc1Br 7a_100000756307_100011218427 [0,2,0,0,0,0|2,0,0]=4 26304 B13R1.158 CC(O)COCc1ccccc1Cl 34a_100000210847_100011218427 [0,2,0,0,0,0|2,0,0]=4 26305 B13R1.158 CC(O)COCc1ccccc1Cl 7a_100000210847_100011218427 [0,2,0,0,0,0|2,0,0]=4 26306 B13R1.158 CC(O)COCc1ccccc1F 34a_100000211962_100011218427 [0,2,0,0,0,0|2,0,0]=4 26307 B13R1.158 CC(O)COCc1ccccc1F 7a_100000211962_100011218427 [0,2,0,0,0,0|2,0,0]=4 26308 B13R1.158 CC(O)COCc1ccccc1I 34a_100000187465_100011218427 [0,2,0,0,0,0|2,0,0]=4 26309 B13R1.158 CC(O)COCc1ccccc1I 7a_100000187465_100011218427 [0,2,0,0,0,0|2,0,0]=4 26310 B13R1.158 CC(O)COCc1ccccc1N 34a_100000212039_100011218427 [0,2,0,0,0,0|2,0,0]=4 26311 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100000184730_100011218427 [0,2,0,0,0,0|2,0,0]=4 26312 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100011218427_100000184730 [0,2,0,0,0,0|2,0,0]=4 26313 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100000187162_100011218427 [0,2,0,0,0,0|2,0,0]=4 26314 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100011218427_100000187162 [0,2,0,0,0,0|2,0,0]=4 26315 B13R1.158 CC(O)CSCc1ccccc1F 62a_100000211605_100011218427 [0,2,0,0,0,0|2,0,0]=4 26316 B13R1.158 CC(O)CSCc1ccccc1F 62a_100011218427_100000211605 [0,2,0,0,0,0|2,0,0]=4 26317 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011216222_100011218427 [0,2,0,0,0,0|2,0,0]=4 26318 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011218427_100011216222 [0,2,0,0,0,0|2,0,0]=4 26319 B13R1.158 CN(C)CCCc1ccccc1Br 2230a_100102631434_200011713681 [0,2,0,0,0,0|2,0,0]=4 26320 B13R1.158 CN(C)CCCc1ccccc1Br 269982a_100102631434_200011713681 [0,2,0,0,0,0|2,0,0]=4 26321 B13R1.158 C[C@@H](Cl)COCc1ccccc1Br 34a_100016084084_100000184730 [0,2,0,0,0,0|2,0,0]=4 26322 B13R1.158 C[C@@H](Cl)COCc1ccccc1Cl 34a_100016084084_100000187162 [0,2,0,0,0,0|2,0,0]=4 26323 B13R1.158 C[C@@H](Cl)COCc1ccccc1F 34a_100016084084_100000211605 [0,2,0,0,0,0|2,0,0]=4 26324 B13R1.158 C[C@@H](Cl)COCc1ccccc1I 34a_100016084084_100011215278 [0,2,0,0,0,0|2,0,0]=4 26325 B13R1.158 C[C@@H](N)COCc1ccccc1Br 34a_100000737577_100000184730 [0,2,0,0,0,0|1,0,0]=3 26326 B13R1.158 C[C@@H](N)COCc1ccccc1Cl 34a_100000737577_100000187162 [0,2,0,0,0,0|1,0,0]=3 26327 B13R1.158 C[C@@H](N)COCc1ccccc1F 34a_100000737577_100000211605 [0,2,0,0,0,0|1,0,0]=3 26328 B13R1.158 C[C@@H](N)COCc1ccccc1I 34a_100000737577_100011215278 [0,2,0,0,0,0|1,0,0]=3 26329 B13R1.158 C[C@@H](N)COCc1cccnc1Br 34a_100000737577_100010140945 [0,2,0,0,0,0|2,0,0]=4 26330 B13R1.158 C[C@@H](N)COCc1cccnc1Cl 34a_100000737577_100000045678 [0,2,0,0,0,0|2,0,0]=4 26331 B13R1.158 C[C@@H](N)COCc1cccnc1F 34a_100000737577_100000099810 [0,2,0,0,0,0|2,0,0]=4 26332 B13R1.158 C[C@@H](N)COCc1ncccc1Br 34a_100000737577_100025702911 [0,2,0,0,0,0|2,0,0]=4 26333 B13R1.158 C[C@@H](N)COCc1ncccc1F 34a_100000737577_100000104219 [0,2,0,0,0,0|2,0,0]=4 26334 B13R1.158 C[C@@H](N)COCc1ncccc1O 34a_100000737577_200020655725 [0,2,0,0,0,0|2,0,0]=4 26335 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 2230a_100000689332_100009817552 [0,2,0,0,0,0|2,0,0]=4 26336 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 34a_100000689332_100009817552 [0,2,0,0,0,0|2,0,0]=4 26337 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 2230a_100000174879_100009817552 [0,2,0,0,0,0|2,0,0]=4 26338 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 34a_100000174879_100009817552 [0,2,0,0,0,0|2,0,0]=4 26339 B13R1.158 C[C@@H](O)CNCc1ccccc1F 34a_100000174869_100009817552 [0,2,0,0,0,0|2,0,0]=4 26340 B13R1.158 C[C@@H](O)CNCc1ccccc1O 34a_100000185550_100009817552 [0,2,0,0,0,0|2,0,0]=4 26341 B13R1.158 C[C@@H](O)COCc1ccccc1Br 34a_100000756307_100009817552 [0,2,0,0,0,0|2,0,0]=4 26342 B13R1.158 C[C@@H](O)COCc1ccccc1Br 7a_100000756307_100009817552 [0,2,0,0,0,0|2,0,0]=4 26343 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 34a_100000210847_100009817552 [0,2,0,0,0,0|2,0,0]=4 26344 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 7a_100000210847_100009817552 [0,2,0,0,0,0|2,0,0]=4 26345 B13R1.158 C[C@@H](O)COCc1ccccc1F 34a_100000211962_100009817552 [0,2,0,0,0,0|2,0,0]=4 26346 B13R1.158 C[C@@H](O)COCc1ccccc1F 7a_100000211962_100009817552 [0,2,0,0,0,0|2,0,0]=4 26347 B13R1.158 C[C@@H](O)COCc1ccccc1I 34a_100000187465_100009817552 [0,2,0,0,0,0|2,0,0]=4 26348 B13R1.158 C[C@@H](O)COCc1ccccc1I 7a_100000187465_100009817552 [0,2,0,0,0,0|2,0,0]=4 26349 B13R1.158 C[C@@H](O)COCc1ccccc1N 34a_100000212039_100009817552 [0,2,0,0,0,0|2,0,0]=4 26350 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100000184730_100009817552 [0,2,0,0,0,0|2,0,0]=4 26351 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100009817552_100000184730 [0,2,0,0,0,0|2,0,0]=4 26352 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100000187162_100009817552 [0,2,0,0,0,0|2,0,0]=4 26353 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100009817552_100000187162 [0,2,0,0,0,0|2,0,0]=4 26354 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100000211605_100009817552 [0,2,0,0,0,0|2,0,0]=4 26355 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100009817552_100000211605 [0,2,0,0,0,0|2,0,0]=4 26356 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100009817552_100011216222 [0,2,0,0,0,0|2,0,0]=4 26357 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100011216222_100009817552 [0,2,0,0,0,0|2,0,0]=4 26358 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100000685071_100000210206 [0,2,0,0,0,0|2,0,0]=4 26359 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100138425928_100011713688 [0,2,0,0,0,0|2,0,0]=4 26360 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100000685071_100000210206 [0,2,0,0,0,0|2,0,0]=4 26361 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100138425928_100011713688 [0,2,0,0,0,0|2,0,0]=4 26362 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100000212225_100011713688 [0,2,0,0,0,0|2,0,0]=4 26363 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100011220023_100000210206 [0,2,0,0,0,0|2,0,0]=4 26364 B13R1.158 Cc1ccccc1CCOC(C)C 7a_100011220023_100000210206 [0,2,0,0,0,0|2,0,0]=4 26365 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100000210206_100011713688 [0,2,0,0,0,0|2,0,0]=4 26366 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100011713688_100000210206 [0,2,0,0,0,0|2,0,0]=4 26367 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [0,2,0,0,0,0|1,0,1]=4 26368 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [0,2,0,0,0,0|1,0,1]=4 26369 B13R1.158 Cc1ccccc1CNCC(C)C 207a_100000210953_100000211143 [0,2,0,0,0,0|2,0,0]=4 26370 B13R1.158 Cc1ccccc1CNCC(C)C 2230a_100000210953_100000211839 [0,2,0,0,0,0|2,0,0]=4 26371 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000174972_100000210432 [0,2,0,0,0,0|2,0,0]=4 26372 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000210953_100000211143 [0,2,0,0,0,0|2,0,0]=4 26373 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000174972_100000210624 [0,2,0,0,0,0|2,0,0]=4 26374 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000210953_100000211839 [0,2,0,0,0,0|2,0,0]=4 26375 B13R1.158 Cc1ccccc1CNCC(C)O 207a_100000210904_100000211143 [0,2,0,0,0,0|2,0,0]=4 26376 B13R1.158 Cc1ccccc1CNCC(C)O 2230a_100000210904_100000211839 [0,2,0,0,0,0|2,0,0]=4 26377 B13R1.158 Cc1ccccc1CNCC(C)O 270004a_100000210904_100000211143 [0,2,0,0,0,0|2,0,0]=4 26378 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000174972_100011218427 [0,2,0,0,0,0|2,0,0]=4 26379 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000210904_100000211839 [0,2,0,0,0,0|2,0,0]=4 26380 B13R1.158 Cc1ccccc1CNCC(F)F 207a_100000765723_100000211143 [0,2,0,0,0,0|2,0,0]=4 26381 B13R1.158 Cc1ccccc1CNCC(F)F 270004a_100000765723_100000211143 [0,2,0,0,0,0|2,0,0]=4 26382 B13R1.158 Cc1ccccc1CNCC(F)F 34a_100000174972_100011934356 [0,2,0,0,0,0|2,0,0]=4 26383 B13R1.158 Cc1ccccc1CNCC(F)F 34a_100000765723_100000211839 [0,2,0,0,0,0|2,0,0]=4 26384 B13R1.158 Cc1ccccc1CNC[C@@H](C)O 34a_100000174972_100009817552 [0,2,0,0,0,0|2,0,0]=4 26385 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [0,2,0,0,0,0|1,0,1]=4 26386 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [0,2,0,0,0,0|1,0,1]=4 26387 B13R1.158 Cc1ccccc1COCC(C)Br 34a_100012180447_100000211839 [0,2,0,0,0,0|2,0,0]=4 26388 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000210257_100000211839 [0,2,0,0,0,0|2,0,0]=4 26389 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000698903_100000210624 [0,2,0,0,0,0|2,0,0]=4 26390 B13R1.158 Cc1ccccc1COCC(C)C 7a_100000698903_100000210760 [0,2,0,0,0,0|2,0,0]=4 26391 B13R1.158 Cc1ccccc1COCC(C)F 34a_100015925927_100000211839 [0,2,0,0,0,0|2,0,0]=4 26392 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [0,2,0,0,0,0|2,0,0]=4 26393 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [0,2,0,0,0,0|2,0,0]=4 26394 B13R1.158 Cc1ccccc1COCC(F)F 34a_100000698903_100011934356 [0,2,0,0,0,0|2,0,0]=4 26395 B13R1.158 Cc1ccccc1COCC(F)F 34a_100000743014_100000211839 [0,2,0,0,0,0|2,0,0]=4 26396 B13R1.158 Cc1ccccc1COCC(F)F 7a_100000698903_100011934356 [0,2,0,0,0,0|2,0,0]=4 26397 B13R1.158 Cc1ccccc1COC[C@@H](C)Cl 34a_100016084084_100000211839 [0,2,0,0,0,0|2,0,0]=4 26398 B13R1.158 Cc1ccccc1COC[C@@H](C)N 34a_100000737577_100000211839 [0,2,0,0,0,0|1,0,0]=3 26399 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [0,2,0,0,0,0|2,0,0]=4 26400 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [0,2,0,0,0,0|2,0,0]=4 26401 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [0,2,0,0,0,0|1,0,1]=4 26402 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [0,2,0,0,0,0|1,0,1]=4 26403 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000210624_100000211839 [0,2,0,0,0,0|2,0,0]=4 26404 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000211839_100000210760 [0,2,0,0,0,0|2,0,0]=4 26405 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100000211839_100011218427 [0,2,0,0,0,0|2,0,0]=4 26406 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100011218427_100000211839 [0,2,0,0,0,0|2,0,0]=4 26407 B13R1.158 Cc1ccccc1CSCC(F)F 62a_100000211839_100011934356 [0,2,0,0,0,0|2,0,0]=4 26408 B13R1.158 Cc1ccccc1CSCC(F)F 62a_100011934356_100000211839 [0,2,0,0,0,0|2,0,0]=4 26409 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100000211839_100009817552 [0,2,0,0,0,0|2,0,0]=4 26410 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100009817552_100000211839 [0,2,0,0,0,0|2,0,0]=4 26411 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [0,2,0,0,0,0|1,0,1]=4 26412 B13R1.158 Cc1ccccc1NCCC(C)C 34a_100015192222_100000210312 [0,2,0,0,0,0|2,0,0]=4 26413 B13R1.158 Cc1ccccc1NCCC(C)O 34a_100015192222_100012276601 [0,2,0,0,0,0|2,0,0]=4 26414 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [0,2,0,0,0,0|1,0,1]=4 26415 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [0,2,0,0,0,0|1,0,1]=4 26416 B13R1.158 Cc1ccccc1OCCC(C)C 34a_100000210338_100000210312 [0,2,0,0,0,0|2,0,0]=4 26417 B13R1.158 Cc1ccccc1OCCC(C)C 7a_100000210338_100000210626 [0,2,0,0,0,0|2,0,0]=4 26418 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,2,0,0,0,0|2,0,0]=4 26419 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,2,0,0,0,0|2,0,0]=4 26420 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000210755_100000744528 [0,2,0,0,0,0|1,0,1]=4 26421 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000744528_100000210755 [0,2,0,0,0,0|1,0,1]=4 26422 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210312_100000210755 [0,2,0,0,0,0|2,0,0]=4 26423 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210755_100000210312 [0,2,0,0,0,0|2,0,0]=4 26424 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100000210755_100012276601 [0,2,0,0,0,0|2,0,0]=4 26425 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100012276601_100000210755 [0,2,0,0,0,0|2,0,0]=4 26426 B13R1.158 Cc1cccnc1COC[C@@H](C)N 34a_100000737577_100000696600 [0,2,0,0,0,0|2,0,0]=4 26427 B13R1.158 Cc1ccncc1COC[C@@H](C)N 34a_100000737577_100000690890 [0,2,0,0,0,0|2,0,0]=4 26428 B13R1.158 Cc1cnccc1COC[C@@H](C)N 34a_100000737577_100020672809 [0,2,0,0,0,0|2,0,0]=4 26429 B13R1.158 Cc1ncccc1COC[C@@H](C)N 34a_100000737577_100000732876 [0,2,0,0,0,0|2,0,0]=4 26430 B13R1.158 FC(F)CNCc1ccccc1Br 207a_100000765723_100000211189 [0,2,0,0,0,0|2,0,0]=4 26431 B13R1.158 FC(F)CNCc1ccccc1Br 2230a_100000689332_100011934356 [0,2,0,0,0,0|2,0,0]=4 26432 B13R1.158 FC(F)CNCc1ccccc1Br 270004a_100000765723_100000211189 [0,2,0,0,0,0|2,0,0]=4 26433 B13R1.158 FC(F)CNCc1ccccc1Br 34a_100000689332_100011934356 [0,2,0,0,0,0|2,0,0]=4 26434 B13R1.158 FC(F)CNCc1ccccc1Br 34a_100000765723_100000184730 [0,2,0,0,0,0|2,0,0]=4 26435 B13R1.158 FC(F)CNCc1ccccc1Cl 207a_100000765723_100000210073 [0,2,0,0,0,0|2,0,0]=4 26436 B13R1.158 FC(F)CNCc1ccccc1Cl 2230a_100000174879_100011934356 [0,2,0,0,0,0|2,0,0]=4 26437 B13R1.158 FC(F)CNCc1ccccc1Cl 270004a_100000765723_100000210073 [0,2,0,0,0,0|2,0,0]=4 26438 B13R1.158 FC(F)CNCc1ccccc1Cl 34a_100000174879_100011934356 [0,2,0,0,0,0|2,0,0]=4 26439 B13R1.158 FC(F)CNCc1ccccc1Cl 34a_100000765723_100000187162 [0,2,0,0,0,0|2,0,0]=4 26440 B13R1.158 FC(F)CNCc1ccccc1I 207a_100000765723_100000010305 [0,2,0,0,0,0|2,0,0]=4 26441 B13R1.158 FC(F)CNCc1ccccc1I 270004a_100000765723_100000010305 [0,2,0,0,0,0|2,0,0]=4 26442 B13R1.158 FC(F)CNCc1ccccc1I 34a_100000765723_100011215278 [0,2,0,0,0,0|2,0,0]=4 26443 B13R1.158 FC(F)COCc1ccccc1Br 34a_100000743014_100000184730 [0,2,0,0,0,0|2,0,0]=4 26444 B13R1.158 FC(F)COCc1ccccc1Br 34a_100000756307_100011934356 [0,2,0,0,0,0|2,0,0]=4 26445 B13R1.158 FC(F)COCc1ccccc1Br 7a_100000756307_100011934356 [0,2,0,0,0,0|2,0,0]=4 26446 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000210847_100011934356 [0,2,0,0,0,0|2,0,0]=4 26447 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000743014_100000187162 [0,2,0,0,0,0|2,0,0]=4 26448 B13R1.158 FC(F)COCc1ccccc1Cl 7a_100000210847_100011934356 [0,2,0,0,0,0|2,0,0]=4 26449 B13R1.158 FC(F)COCc1ccccc1I 34a_100000187465_100011934356 [0,2,0,0,0,0|2,0,0]=4 26450 B13R1.158 FC(F)COCc1ccccc1I 34a_100000743014_100011215278 [0,2,0,0,0,0|2,0,0]=4 26451 B13R1.158 FC(F)COCc1ccccc1I 7a_100000187465_100011934356 [0,2,0,0,0,0|2,0,0]=4 26452 B13R1.158 FC(F)CSCc1ccccc1Br 62a_100000184730_100011934356 [0,2,0,0,0,0|2,0,0]=4 26453 B13R1.158 FC(F)CSCc1ccccc1Br 62a_100011934356_100000184730 [0,2,0,0,0,0|2,0,0]=4 26454 B13R1.158 FC(F)CSCc1ccccc1Cl 62a_100000187162_100011934356 [0,2,0,0,0,0|2,0,0]=4 26455 B13R1.158 FC(F)CSCc1ccccc1Cl 62a_100011934356_100000187162 [0,2,0,0,0,0|2,0,0]=4 26456 B13R1.158 FC(F)CSCc1ccccc1I 62a_100011216222_100011934356 [0,2,0,0,0,0|2,0,0]=4 26457 B13R1.158 FC(F)CSCc1ccccc1I 62a_100011934356_100011216222 [0,2,0,0,0,0|2,0,0]=4 26458 B13R1.158 Fc1ccccc1CNCC(F)F 207a_100000765723_100000210811 [0,2,0,0,0,0|2,0,0]=4 26459 B13R1.158 Fc1ccccc1CNCC(F)F 270004a_100000765723_100000210811 [0,2,0,0,0,0|2,0,0]=4 26460 B13R1.158 Fc1ccccc1CNCC(F)F 34a_100000174869_100011934356 [0,2,0,0,0,0|2,0,0]=4 26461 B13R1.158 Fc1ccccc1CNCC(F)F 34a_100000765723_100000211605 [0,2,0,0,0,0|2,0,0]=4 26462 B13R1.158 Fc1ccccc1COCC(F)F 34a_100000211962_100011934356 [0,2,0,0,0,0|2,0,0]=4 26463 B13R1.158 Fc1ccccc1COCC(F)F 34a_100000743014_100000211605 [0,2,0,0,0,0|2,0,0]=4 26464 B13R1.158 Fc1ccccc1COCC(F)F 7a_100000211962_100011934356 [0,2,0,0,0,0|2,0,0]=4 26465 B13R1.158 Fc1ccccc1CSCC(F)F 62a_100000211605_100011934356 [0,2,0,0,0,0|2,0,0]=4 26466 B13R1.158 Fc1ccccc1CSCC(F)F 62a_100011934356_100000211605 [0,2,0,0,0,0|2,0,0]=4 26467 B13R1.158 NC(=O)CCNc1ccccc1Br 34a_100000210017_100000731001 [0,2,0,0,0,0|1,0,1]=4 26468 B13R1.158 NC(=O)CCNc1ccccc1Cl 34a_100000185783_100000731001 [0,2,0,0,0,0|1,0,1]=4 26469 B13R1.158 NC(=O)CCNc1ccccc1F 34a_100000210422_100000731001 [0,2,0,0,0,0|1,0,1]=4 26470 B13R1.158 NC(=O)CCNc1ccccc1I 34a_100000210053_100000731001 [0,2,0,0,0,0|1,0,1]=4 26471 B13R1.158 NC(=O)CCNc1ccccc1O 34a_100000185747_100000731001 [0,2,0,0,0,0|1,0,1]=4 26472 B13R1.158 NC(=O)CCOc1ccccc1Br 34a_100000181306_100000731001 [0,2,0,0,0,0|1,0,1]=4 26473 B13R1.158 NC(=O)CCOc1ccccc1Br 7a_100000181306_100000744528 [0,2,0,0,0,0|1,0,1]=4 26474 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [0,2,0,0,0,0|1,0,1]=4 26475 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [0,2,0,0,0,0|1,0,1]=4 26476 B13R1.158 NC(=O)CCOc1ccccc1F 34a_100000210171_100000731001 [0,2,0,0,0,0|1,0,1]=4 26477 B13R1.158 NC(=O)CCOc1ccccc1F 7a_100000210171_100000744528 [0,2,0,0,0,0|1,0,1]=4 26478 B13R1.158 NC(=O)CCOc1ccccc1I 34a_100000739446_100000731001 [0,2,0,0,0,0|1,0,1]=4 26479 B13R1.158 NC(=O)CCOc1ccccc1I 7a_100000739446_100000744528 [0,2,0,0,0,0|1,0,1]=4 26480 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [0,2,0,0,0,0|1,0,1]=4 26481 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [0,2,0,0,0,0|1,0,1]=4 26482 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000695589_100000744528 [0,2,0,0,0,0|1,0,1]=4 26483 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000744528_100000695589 [0,2,0,0,0,0|1,0,1]=4 26484 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000744528_100000764095 [0,2,0,0,0,0|1,0,1]=4 26485 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000764095_100000744528 [0,2,0,0,0,0|1,0,1]=4 26486 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100000744528_100011215700 [0,2,0,0,0,0|1,0,1]=4 26487 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100011215700_100000744528 [0,2,0,0,0,0|1,0,1]=4 26488 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000210017_100000744528 [0,2,0,0,0,0|1,0,1]=4 26489 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000744528_100000210017 [0,2,0,0,0,0|1,0,1]=4 26490 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000739446_100000744528 [0,2,0,0,0,0|1,0,1]=4 26491 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000744528_100000739446 [0,2,0,0,0,0|1,0,1]=4 26492 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747473 [0,2,0,0,0,0|1,0,1]=4 26493 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000711301_100000184730 [0,2,0,0,0,0|1,0,1]=4 26494 B13R1.158 NC(=O)CNCc1ccccc1Br 34a_100000689332_100000187820 [0,2,0,0,0,0|1,0,1]=4 26495 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747473 [0,2,0,0,0,0|1,0,1]=4 26496 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000711301_100000187162 [0,2,0,0,0,0|1,0,1]=4 26497 B13R1.158 NC(=O)CNCc1ccccc1Cl 34a_100000174879_100000187820 [0,2,0,0,0,0|1,0,1]=4 26498 B13R1.158 NC(=O)CNCc1ccccc1F 2230a_100000711301_100000211605 [0,2,0,0,0,0|1,0,1]=4 26499 B13R1.158 NC(=O)CNCc1ccccc1F 34a_100000174869_100000187820 [0,2,0,0,0,0|1,0,1]=4 26500 B13R1.158 NC(=O)CNCc1ccccc1I 2230a_100000711301_100011215278 [0,2,0,0,0,0|1,0,1]=4 26501 B13R1.158 NC(=O)CNCc1ccccc1O 34a_100000185550_100000187820 [0,2,0,0,0,0|1,0,1]=4 26502 B13R1.158 NC(=O)COCc1ccccc1Br 34a_100000756307_100000187820 [0,2,0,0,0,0|1,0,1]=4 26503 B13R1.158 NC(=O)COCc1ccccc1Br 7a_100000756307_100000187820 [0,2,0,0,0,0|1,0,1]=4 26504 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [0,2,0,0,0,0|1,0,1]=4 26505 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [0,2,0,0,0,0|1,0,1]=4 26506 B13R1.158 NC(=O)COCc1ccccc1F 34a_100000211962_100000187820 [0,2,0,0,0,0|1,0,1]=4 26507 B13R1.158 NC(=O)COCc1ccccc1F 7a_100000211962_100000187820 [0,2,0,0,0,0|1,0,1]=4 26508 B13R1.158 NC(=O)COCc1ccccc1I 34a_100000187465_100000187820 [0,2,0,0,0,0|1,0,1]=4 26509 B13R1.158 NC(=O)COCc1ccccc1I 7a_100000187465_100000187820 [0,2,0,0,0,0|1,0,1]=4 26510 B13R1.158 NC(=O)COCc1ccccc1N 34a_100000212039_100000187820 [0,2,0,0,0,0|1,0,1]=4 26511 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000184730_100000747473 [0,2,0,0,0,0|1,0,1]=4 26512 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000747473_100000184730 [0,2,0,0,0,0|1,0,1]=4 26513 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747473 [0,2,0,0,0,0|1,0,1]=4 26514 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000747473_100000187162 [0,2,0,0,0,0|1,0,1]=4 26515 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000211605_100000747473 [0,2,0,0,0,0|1,0,1]=4 26516 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000747473_100000211605 [0,2,0,0,0,0|1,0,1]=4 26517 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100000747473_100011216222 [0,2,0,0,0,0|1,0,1]=4 26518 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100011216222_100000747473 [0,2,0,0,0,0|1,0,1]=4 26519 B13R1.158 Nc1ccccc1COCC(F)F 34a_100000212039_100011934356 [0,2,0,0,0,0|2,0,0]=4 26520 B13R1.158 Oc1ccccc1CNCC(F)F 34a_100000185550_100011934356 [0,2,0,0,0,0|2,0,0]=4 26521 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,2,0,0,0,0|1,0,1]=4 26522 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,2,0,0,0,0|1,0,1]=4 26523 B13R1.3523 CC(C)(C)CCNc1ccccc1 34a_100000106764_100000755188 [0,2,0,0,0,0|2,0,0]=4 26524 B13R1.3523 CC(C)(C)CCOc1ccccc1 34a_100000210340_100000755188 [0,2,0,0,0,0|2,0,0]=4 26525 B13R1.3523 CC(C)(C)CCOc1ccccc1 7a_100000210340_100000755188 [0,2,0,0,0,0|2,0,0]=4 26526 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000719477_100000755188 [0,2,0,0,0,0|2,0,0]=4 26527 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000755188_100000041952 [0,2,0,0,0,0|2,0,0]=4 26528 B13R1.3523 CC(C)(C)CNCc1ccccc1 207a_100000743828_100015611070 [0,2,0,0,0,0|2,0,0]=4 26529 B13R1.3523 CC(C)(C)CNCc1ccccc1 2230a_100000743828_100015291786 [0,2,0,0,0,0|2,0,0]=4 26530 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100000743828_100015611070 [0,2,0,0,0,0|2,0,0]=4 26531 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100015324214_100011204126 [0,2,0,0,0,0|2,0,0]=4 26532 B13R1.3523 CC(C)(C)CNCc1ccccc1 34a_100015324214_100011219605 [0,2,0,0,0,0|2,0,0]=4 26533 B13R1.3523 CC(C)(C)COCc1ccccc1 34a_100000210790_100011219605 [0,2,0,0,0,0|2,0,0]=4 26534 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100000211182_100011219605 [0,2,0,0,0,0|2,0,0]=4 26535 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100011219605_100015291786 [0,2,0,0,0,0|2,0,0]=4 26536 B13R1.3523 CC(C)(C)NCCc1ccccc1 2230a_100000715429_100000765856 [0,2,0,0,0,0|2,0,0]=4 26537 B13R1.3523 CC(C)(C)NCCc1ccccc1 34a_100000106460_100000210625 [0,2,0,0,0,0|2,0,0]=4 26538 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100000210268_100000210625 [0,2,0,0,0,0|2,0,0]=4 26539 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100015890283_100000765856 [0,2,0,0,0,0|2,0,0]=4 26540 B13R1.3523 CC(C)(C)OCCc1ccccc1 7a_100015890283_100000765856 [0,2,0,0,0,0|2,0,0]=4 26541 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000211941_100011218657 [0,2,0,0,0,0|2,0,0]=4 26542 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000765856_100000211941 [0,2,0,0,0,0|2,0,0]=4 26543 B13R1.3523 CC(C)(F)CNCc1ccccc1 207a_100020643315_100015611070 [0,2,0,0,0,0|2,0,0]=4 26544 B13R1.3523 CC(C)(F)CNCc1ccccc1 2230a_100020643315_100015291786 [0,2,0,0,0,0|2,0,0]=4 26545 B13R1.3523 CC(C)(F)CNCc1ccccc1 270004a_100020643315_100015611070 [0,2,0,0,0,0|2,0,0]=4 26546 B13R1.3523 CC(C)(F)CNCc1ccccc1 34a_100015324214_100011997219 [0,2,0,0,0,0|2,0,0]=4 26547 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000210790_100011997219 [0,2,0,0,0,0|2,0,0]=4 26548 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000716592_100015291786 [0,2,0,0,0,0|2,0,0]=4 26549 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100000211182_100011997219 [0,2,0,0,0,0|2,0,0]=4 26550 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100011997219_100015291786 [0,2,0,0,0,0|2,0,0]=4 26551 B13R1.3523 CC(C)(O)CCNc1ccccc1 34a_100000106764_100000702414 [0,2,0,0,0,0|2,0,0]=4 26552 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [0,2,0,0,0,0|2,0,0]=4 26553 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [0,2,0,0,0,0|2,0,0]=4 26554 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000702414_100000041952 [0,2,0,0,0,0|2,0,0]=4 26555 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000719477_100000702414 [0,2,0,0,0,0|2,0,0]=4 26556 B13R1.3523 CC(C)(O)CNCc1ccccc1 207a_100000751335_100015611070 [0,2,0,0,0,0|2,0,0]=4 26557 B13R1.3523 CC(C)(O)CNCc1ccccc1 2230a_100000751335_100015291786 [0,2,0,0,0,0|2,0,0]=4 26558 B13R1.3523 CC(C)(O)CNCc1ccccc1 270004a_100000751335_100015611070 [0,2,0,0,0,0|2,0,0]=4 26559 B13R1.3523 CC(C)(O)CNCc1ccccc1 34a_100015324214_100000764493 [0,2,0,0,0,0|2,0,0]=4 26560 B13R1.3523 CC(C)(O)COCc1ccccc1 34a_100000210790_100000764493 [0,2,0,0,0,0|2,0,0]=4 26561 B13R1.3523 CC(C)(O)COCc1ccccc1 7a_100000210790_100000764493 [0,2,0,0,0,0|2,0,0]=4 26562 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000211182_100000764493 [0,2,0,0,0,0|2,0,0]=4 26563 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000764493_100015291786 [0,2,0,0,0,0|2,0,0]=4 26564 B13R1.3523 CC(F)(F)CNCc1ccccc1 207a_100000731000_100015611070 [0,2,0,0,0,0|2,0,0]=4 26565 B13R1.3523 CC(F)(F)CNCc1ccccc1 270004a_100000731000_100015611070 [0,2,0,0,0,0|2,0,0]=4 26566 B13R1.3523 CC(F)(F)COCc1ccccc1 34a_100000068830_100015291786 [0,2,0,0,0,0|2,0,0]=4 26567 B13R1.3523 FC(F)(Br)COCc1ccccc1 34a_100011217949_100015291786 [0,2,0,0,0,0|2,0,0]=4 26568 B13R1.3523 FC(F)(Cl)COCc1ccccc1 34a_100000734434_100015291786 [0,2,0,0,0,0|2,0,0]=4 26569 B13R1.3523 FC(F)(F)CCNc1ccccc1 34a_100000106764_100011219754 [0,2,0,0,0,0|2,0,0]=4 26570 B13R1.3523 FC(F)(F)CCOc1ccccc1 34a_100000210340_100011219754 [0,2,0,0,0,0|2,0,0]=4 26571 B13R1.3523 FC(F)(F)CCOc1ccccc1 7a_100000210340_100011219754 [0,2,0,0,0,0|2,0,0]=4 26572 B13R1.3523 FC(F)(F)CCSc1ccccc1 62a_100000719477_100011219754 [0,2,0,0,0,0|2,0,0]=4 26573 B13R1.3523 FC(F)(F)CCSc1ccccc1 62a_100011219754_100000041952 [0,2,0,0,0,0|2,0,0]=4 26574 B13R1.3523 FC(F)(F)CNCc1ccccc1 2230a_100015324214_100000763148 [0,2,0,0,0,0|2,0,0]=4 26575 B13R1.3523 FC(F)(F)CNCc1ccccc1 34a_100000717047_100015291786 [0,2,0,0,0,0|2,0,0]=4 26576 B13R1.3523 FC(F)(F)COCc1ccccc1 34a_100000210435_100015291786 [0,2,0,0,0,0|2,0,0]=4 26577 B13R1.3523 FC(F)(F)CSCc1ccccc1 62a_100000211182_100000763148 [0,2,0,0,0,0|2,0,0]=4 26578 B13R1.3523 FC(F)(F)CSCc1ccccc1 62a_100000763148_100015291786 [0,2,0,0,0,0|2,0,0]=4 26579 B13R1.3523 FC(F)(F)NCCc1ccccc1 34a_100000106460_200103152311 [0,2,0,0,0,0|2,0,0]=4 26580 B13R1.3523 FC(F)(F)OCCc1ccccc1 34a_100000210268_200103152311 [0,2,0,0,0,0|2,0,0]=4 26581 B13R1.3523 FC(F)(F)OCCc1ccccc1 7a_100000210268_200000243211 [0,2,0,0,0,0|2,0,0]=4 26582 B13R1.3523 FC(F)(F)SCCc1ccccc1 62a_100000765856_200103152311 [0,2,0,0,0,0|2,0,0]=4 26583 B13R1.3523 FC(F)(F)SCCc1ccccc1 62a_200000243211_100011218657 [0,2,0,0,0,0|2,0,0]=4 26584 B13R1.3523 NS(=O)(=O)CSCc1ccccc1 62a_100000211182_100000741382 [0,2,0,0,0,0|2,0,0]=4 26585 B13R1.3523 NS(=O)(=O)CSCc1ccccc1 62a_100000741382_100015291786 [0,2,0,0,0,0|2,0,0]=4 26586 B13R1.84 C#Cc1ccccc1CNCCC 34a_100020634229_100000210303 [0,2,0,0,0,0|2,0,0]=4 26587 B13R1.84 C#Cc1ccccc1CNCCF 34a_100020634229_100011217306 [0,2,0,0,0,0|2,0,0]=4 26588 B13R1.84 C#Cc1ccccc1CNCCO 34a_100020634229_100000211926 [0,2,0,0,0,0|2,0,0]=4 26589 B13R1.84 C#Cc1ccccc1COCCC 34a_100000054652_100000210303 [0,2,0,0,0,0|2,0,0]=4 26590 B13R1.84 C#Cc1ccccc1COCCC 7a_100000054652_100000210303 [0,2,0,0,0,0|2,0,0]=4 26591 B13R1.84 C#Cc1ccccc1COCCF 34a_100000054652_100011217306 [0,2,0,0,0,0|2,0,0]=4 26592 B13R1.84 C#Cc1ccccc1COCCF 7a_100000054652_100011217306 [0,2,0,0,0,0|2,0,0]=4 26593 B13R1.84 C#Cc1ccccc1COCCO 34a_100000054652_100000211926 [0,2,0,0,0,0|2,0,0]=4 26594 B13R1.84 C#Cc1ccccc1COCCO 7a_100000054652_100000211926 [0,2,0,0,0,0|2,0,0]=4 26595 B13R1.84 C#Cc1ccccc1NCCCC 34a_100011470550_100000210210 [0,2,0,0,0,0|2,0,0]=4 26596 B13R1.84 C#Cc1ccccc1NCCCF 34a_100011470550_100011934791 [0,2,0,0,0,0|2,0,0]=4 26597 B13R1.84 C#Cc1ccccc1NCCCO 34a_100011470550_100000230001 [0,2,0,0,0,0|2,0,0]=4 26598 B13R1.84 C#Cc1ccccc1OCCCC 34a_200011470546_100000210210 [0,2,0,0,0,0|2,0,0]=4 26599 B13R1.84 C#Cc1ccccc1OCCCC 7a_200011470546_100000210211 [0,2,0,0,0,0|2,0,0]=4 26600 B13R1.84 C#Cc1ccccc1OCCCF 34a_200011470546_100011934791 [0,2,0,0,0,0|2,0,0]=4 26601 B13R1.84 C#Cc1ccccc1OCCCF 7a_200011470546_100011934791 [0,2,0,0,0,0|2,0,0]=4 26602 B13R1.84 C#Cc1ccccc1OCCCO 34a_200011470546_100000230001 [0,2,0,0,0,0|2,0,0]=4 26603 B13R1.84 C#Cc1ccccc1OCCCO 7a_200011470546_100011215043 [0,2,0,0,0,0|2,0,0]=4 26604 B13R1.84 C=Cc1ccccc1CCCCO 271570a_100011290941_100012092669 [0,2,0,0,0,0|1,0,0]=3 26605 B13R1.84 C=Cc1ccccc1CNCCC 271570a_100011290941_100000196483 [0,2,0,0,0,0|2,0,0]=4 26606 B13R1.84 C=Cc1ccccc1CNCCO 271570a_100011290941_106744479749 [0,2,0,0,0,0|2,0,0]=4 26607 B13R1.84 C=Cc1ccccc1COCCC 34a_200010883148_100000210303 [0,2,0,0,0,0|2,0,0]=4 26608 B13R1.84 C=Cc1ccccc1COCCC 7a_200010883148_100000210303 [0,2,0,0,0,0|2,0,0]=4 26609 B13R1.84 C=Cc1ccccc1COCCF 34a_200010883148_100011217306 [0,2,0,0,0,0|2,0,0]=4 26610 B13R1.84 C=Cc1ccccc1COCCF 7a_200010883148_100011217306 [0,2,0,0,0,0|2,0,0]=4 26611 B13R1.84 C=Cc1ccccc1COCCO 34a_200010883148_100000211926 [0,2,0,0,0,0|2,0,0]=4 26612 B13R1.84 C=Cc1ccccc1COCCO 7a_200010883148_100000211926 [0,2,0,0,0,0|2,0,0]=4 26613 B13R1.84 C=Cc1ccccc1CSCCC 271570a_100011290941_200000173363 [0,2,0,0,0,0|2,0,0]=4 26614 B13R1.84 C=Cc1ccccc1NCCCC 34a_100012022501_100000210210 [0,2,0,0,0,0|2,0,0]=4 26615 B13R1.84 C=Cc1ccccc1NCCCF 34a_100012022501_100011934791 [0,2,0,0,0,0|2,0,0]=4 26616 B13R1.84 C=Cc1ccccc1NCCCO 34a_100012022501_100000230001 [0,2,0,0,0,0|2,0,0]=4 26617 B13R1.84 C=Cc1ccccc1OCCCC 271570a_100011290941_100000230755 [0,2,0,0,0,0|2,0,0]=4 26618 B13R1.84 C=Cc1ccccc1SCCCC 62a_100000210211_100011218376 [0,2,0,0,0,0|2,0,0]=4 26619 B13R1.84 C=Cc1ccccc1SCCCC 62a_100011218376_100000210210 [0,2,0,0,0,0|2,0,0]=4 26620 B13R1.84 C=Cc1ccccc1SCCCF 62a_100011218376_100011934791 [0,2,0,0,0,0|2,0,0]=4 26621 B13R1.84 C=Cc1ccccc1SCCCF 62a_100011934791_100011218376 [0,2,0,0,0,0|2,0,0]=4 26622 B13R1.84 C=Cc1ccccc1SCCCO 62a_100011215043_100011218376 [0,2,0,0,0,0|2,0,0]=4 26623 B13R1.84 C=Cc1ccccc1SCCCO 62a_100011218376_100011215043 [0,2,0,0,0,0|2,0,0]=4 26624 B13R1.84 CCCCNc1ccccc1C#N 34a_100000211148_100000210210 [0,2,0,0,0,0|2,0,0]=4 26625 B13R1.84 CCCCNc1ccccc1CC 2230a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 26626 B13R1.84 CCCCNc1ccccc1CC 34a_100000212081_100000210210 [0,2,0,0,0,0|2,0,0]=4 26627 B13R1.84 CCCCNc1ccccc1CC 7a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 26628 B13R1.84 CCCCNc1ccccc1CO 34a_100000212039_100000210210 [0,2,0,0,0,0|2,0,0]=4 26629 B13R1.84 CCCCNc1ccccc1OC 34a_100000210025_100000210210 [0,2,0,0,0,0|2,0,0]=4 26630 B13R1.84 CCCCNc1ccccc1SC 34a_100000211160_100000210210 [0,2,0,0,0,0|2,0,0]=4 26631 B13R1.84 CCCCOc1ccccc1C#N 34a_100000211048_100000210210 [0,2,0,0,0,0|2,0,0]=4 26632 B13R1.84 CCCCOc1ccccc1C#N 7a_100000211048_100000210211 [0,2,0,0,0,0|2,0,0]=4 26633 B13R1.84 CCCCOc1ccccc1CC 34a_100000210936_100000210210 [0,2,0,0,0,0|2,0,0]=4 26634 B13R1.84 CCCCOc1ccccc1CC 7a_100000210936_100000210211 [0,2,0,0,0,0|2,0,0]=4 26635 B13R1.84 CCCCOc1ccccc1CN 34a_100000185550_100000210210 [0,2,0,0,0,0|2,0,0]=4 26636 B13R1.84 CCCCOc1ccccc1CO 34a_100011216872_100000210210 [0,2,0,0,0,0|2,0,0]=4 26637 B13R1.84 CCCCOc1ccccc1NC 2230a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 26638 B13R1.84 CCCCOc1ccccc1NC 34a_100000033821_100000210210 [0,2,0,0,0,0|2,0,0]=4 26639 B13R1.84 CCCCOc1ccccc1NC 34a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 26640 B13R1.84 CCCCOc1ccccc1N[13CH3] 2230a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 26641 B13R1.84 CCCCOc1ccccc1N[13CH3] 34a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 26642 B13R1.84 CCCCOc1ccccc1OC 34a_100000210385_100000210210 [0,2,0,0,0,0|2,0,0]=4 26643 B13R1.84 CCCCOc1ccccc1SC 34a_100011216402_100000210210 [0,2,0,0,0,0|2,0,0]=4 26644 B13R1.84 CCCCOc1ccccc1SC 62a_100000230755_200000210301 [0,2,0,0,0,0|2,0,0]=4 26645 B13R1.84 CCCCOc1ccccc1SC 62a_200000210301_100000230755 [0,2,0,0,0,0|2,0,0]=4 26646 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_100000230755_200025704644 [0,2,0,0,0,0|2,0,0]=4 26647 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_200025704644_100000230755 [0,2,0,0,0,0|2,0,0]=4 26648 B13R1.84 CCCCSc1ccccc1C#N 62a_100000210211_100000188569 [0,2,0,0,0,0|2,0,0]=4 26649 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210073_100000210210 [0,2,0,0,0,0|2,0,0]=4 26650 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210211_100000210073 [0,2,0,0,0,0|2,0,0]=4 26651 B13R1.84 CCCCSc1ccccc1CC 62a_100000210211_100011215823 [0,2,0,0,0,0|2,0,0]=4 26652 B13R1.84 CCCCSc1ccccc1CC 62a_100011215823_100000210210 [0,2,0,0,0,0|2,0,0]=4 26653 B13R1.84 CCCCSc1ccccc1CN 62a_100000210211_100000689332 [0,2,0,0,0,0|2,0,0]=4 26654 B13R1.84 CCCCSc1ccccc1CN 62a_100000689332_100000210210 [0,2,0,0,0,0|2,0,0]=4 26655 B13R1.84 CCCCSc1ccccc1CO 62a_100000187465_100000210210 [0,2,0,0,0,0|2,0,0]=4 26656 B13R1.84 CCCCSc1ccccc1CO 62a_100000210211_100000187465 [0,2,0,0,0,0|2,0,0]=4 26657 B13R1.84 CCCCSc1ccccc1NC 62a_100000210211_100020606079 [0,2,0,0,0,0|2,0,0]=4 26658 B13R1.84 CCCCSc1ccccc1NC 62a_100020606079_100000210210 [0,2,0,0,0,0|2,0,0]=4 26659 B13R1.84 CCCCSc1ccccc1NN 62a_100000210211_100000241748 [0,2,0,0,0,0|2,0,0]=4 26660 B13R1.84 CCCCSc1ccccc1NN 62a_100000241748_100000210210 [0,2,0,0,0,0|2,0,0]=4 26661 B13R1.84 CCCCSc1ccccc1OC 62a_100000210211_100000210334 [0,2,0,0,0,0|2,0,0]=4 26662 B13R1.84 CCCCSc1ccccc1OC 62a_100000210334_100000210210 [0,2,0,0,0,0|2,0,0]=4 26663 B13R1.84 CCCCSc1ccccc1SC 62a_100000210211_100011217816 [0,2,0,0,0,0|2,0,0]=4 26664 B13R1.84 CCCCSc1ccccc1SC 62a_100011217816_100000210210 [0,2,0,0,0,0|2,0,0]=4 26665 B13R1.84 CCCNCc1ccccc1C#N 34a_100016989011_100000210303 [0,2,0,0,0,0|2,0,0]=4 26666 B13R1.84 CCCNCc1ccccc1CC 207a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 26667 B13R1.84 CCCNCc1ccccc1CC 270004a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 26668 B13R1.84 CCCNCc1ccccc1OC 207a_100020643023_100000169842 [0,2,0,0,0,0|2,0,0]=4 26669 B13R1.84 CCCNCc1ccccc1OC 270004a_100020643023_100000169842 [0,2,0,0,0,0|2,0,0]=4 26670 B13R1.84 CCCNCc1ccccc1OC 34a_100000188900_100000210303 [0,2,0,0,0,0|2,0,0]=4 26671 B13R1.84 CCCNCc1ccccc1OC 34a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 26672 B13R1.84 CCCNCc1ccccc1O[13CH3] 34a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 26673 B13R1.84 CCCNCc1ccccc1SC 207a_100020643023_100011217347 [0,2,0,0,0,0|2,0,0]=4 26674 B13R1.84 CCCNCc1ccccc1SC 270004a_100020643023_100011217347 [0,2,0,0,0,0|2,0,0]=4 26675 B13R1.84 CCCNCc1ccccc1SC 34a_102495365025_100000210303 [0,2,0,0,0,0|2,0,0]=4 26676 B13R1.84 CCCNCc1ccccc1SC 62a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 26677 B13R1.84 CCCNCc1ccccc1SC 62a_200000210301_100000196483 [0,2,0,0,0,0|2,0,0]=4 26678 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 26679 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_200025704644_100000196483 [0,2,0,0,0,0|2,0,0]=4 26680 B13R1.84 CCCOCc1ccccc1C#N 34a_100000210258_100000181865 [0,2,0,0,0,0|2,0,0]=4 26681 B13R1.84 CCCOCc1ccccc1C#N 34a_200011269968_100000210303 [0,2,0,0,0,0|2,0,0]=4 26682 B13R1.84 CCCOCc1ccccc1C#N 7a_200011269968_100000210303 [0,2,0,0,0,0|2,0,0]=4 26683 B13R1.84 CCCOCc1ccccc1C=O 34a_100000210258_200009853537 [0,2,0,0,0,0|2,0,0]=4 26684 B13R1.84 CCCOCc1ccccc1CBr 34a_100009816955_100000210303 [0,2,0,0,0,0|2,0,0]=4 26685 B13R1.84 CCCOCc1ccccc1CBr 7a_100009816955_100000210303 [0,2,0,0,0,0|2,0,0]=4 26686 B13R1.84 CCCOCc1ccccc1CC 34a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 26687 B13R1.84 CCCOCc1ccccc1CC 7a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 26688 B13R1.84 CCCOCc1ccccc1CN 34a_100000743596_100000210303 [0,2,0,0,0,0|2,0,0]=4 26689 B13R1.84 CCCOCc1ccccc1CO 34a_100000210258_100009816955 [0,2,0,0,0,0|2,0,0]=4 26690 B13R1.84 CCCOCc1ccccc1OC 34a_100000210258_100000210004 [0,2,0,0,0,0|2,0,0]=4 26691 B13R1.84 CCCOCc1ccccc1OC 34a_100000211301_100000210303 [0,2,0,0,0,0|2,0,0]=4 26692 B13R1.84 CCCOCc1ccccc1SC 34a_100000210258_100000699184 [0,2,0,0,0,0|2,0,0]=4 26693 B13R1.84 CCCOCc1ccccc1SC 34a_100000699167_100000210303 [0,2,0,0,0,0|2,0,0]=4 26694 B13R1.84 CCCSCc1ccccc1C#N 62a_100000186380_100000210303 [0,2,0,0,0,0|2,0,0]=4 26695 B13R1.84 CCCSCc1ccccc1C#N 62a_100000210303_100000181865 [0,2,0,0,0,0|2,0,0]=4 26696 B13R1.84 CCCSCc1ccccc1C=O 62a_100000210303_200009853537 [0,2,0,0,0,0|2,0,0]=4 26697 B13R1.84 CCCSCc1ccccc1C=O 62a_200009853537_100000210303 [0,2,0,0,0,0|2,0,0]=4 26698 B13R1.84 CCCSCc1ccccc1CO 62a_100000210303_100009816955 [0,2,0,0,0,0|2,0,0]=4 26699 B13R1.84 CCCSCc1ccccc1CO 62a_100009816955_100000210303 [0,2,0,0,0,0|2,0,0]=4 26700 B13R1.84 CCCSCc1ccccc1OC 62a_100000210004_100000210303 [0,2,0,0,0,0|2,0,0]=4 26701 B13R1.84 CCCSCc1ccccc1OC 62a_100000210303_100000210004 [0,2,0,0,0,0|2,0,0]=4 26702 B13R1.84 CCCSCc1ccccc1SC 62a_100000210303_100000699184 [0,2,0,0,0,0|2,0,0]=4 26703 B13R1.84 CCCSCc1ccccc1SC 62a_100000699184_100000210303 [0,2,0,0,0,0|2,0,0]=4 26704 B13R1.84 CCCSCc1ccccc1SC 62a_200000173363_200000210301 [0,2,0,0,0,0|2,0,0]=4 26705 B13R1.84 CCCSCc1ccccc1SC 62a_200000210301_200000173363 [0,2,0,0,0,0|2,0,0]=4 26706 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200000173363_200025704644 [0,2,0,0,0,0|2,0,0]=4 26707 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200025704644_200000173363 [0,2,0,0,0,0|2,0,0]=4 26708 B13R1.84 CCNCCc1ccccc1C#N 2230a_100015525214_200013032965 [0,2,0,0,0,0|2,0,0]=4 26709 B13R1.84 CCNCCc1ccccc1C=O 2230a_100015525214_100010186698 [0,2,0,0,0,0|2,0,0]=4 26710 B13R1.84 CCNCCc1ccccc1CC 2230a_100011663701_100000210202 [0,2,0,0,0,0|2,0,0]=4 26711 B13R1.84 CCNCCc1ccccc1CC 34a_100011663701_100000210202 [0,2,0,0,0,0|2,0,0]=4 26712 B13R1.84 CCNCCc1ccccc1OC 2230a_100000211851_100000210202 [0,2,0,0,0,0|2,0,0]=4 26713 B13R1.84 CCNCCc1ccccc1OC 2230a_100015525214_100011713687 [0,2,0,0,0,0|2,0,0]=4 26714 B13R1.84 CCNCCc1ccccc1OC 270004a_100015525214_100011713418 [0,2,0,0,0,0|2,0,0]=4 26715 B13R1.84 CCNCCc1ccccc1OC 34a_100000211851_100000210202 [0,2,0,0,0,0|2,0,0]=4 26716 B13R1.84 CCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 26717 B13R1.84 CCNCCc1ccccc1[Pd]Cl 34a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 26718 B13R1.84 CCNCCc1ccccc1[Pd]Cl 7a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 26719 B13R1.84 CCOCCc1ccccc1C#N 34a_100121572206_200013032965 [0,2,0,0,0,0|2,0,0]=4 26720 B13R1.84 CCOCCc1ccccc1C=O 34a_100121572206_100010186698 [0,2,0,0,0,0|2,0,0]=4 26721 B13R1.84 CCOCCc1ccccc1OC 34a_100011218620_100000210202 [0,2,0,0,0,0|2,0,0]=4 26722 B13R1.84 CCOCCc1ccccc1OC 34a_100121572206_100011713687 [0,2,0,0,0,0|2,0,0]=4 26723 B13R1.84 CCOCCc1ccccc1OC 7a_100011218620_100000210202 [0,2,0,0,0,0|2,0,0]=4 26724 B13R1.84 CCSCCc1ccccc1C#N 62a_100000210202_200013032965 [0,2,0,0,0,0|2,0,0]=4 26725 B13R1.84 CCSCCc1ccccc1C=O 62a_100000210202_100010186698 [0,2,0,0,0,0|2,0,0]=4 26726 B13R1.84 CCSCCc1ccccc1C=O 62a_100010186698_100000210202 [0,2,0,0,0,0|2,0,0]=4 26727 B13R1.84 CCSCCc1ccccc1OC 62a_100000210202_100011713687 [0,2,0,0,0,0|2,0,0]=4 26728 B13R1.84 CCSCCc1ccccc1OC 62a_100011713687_100000210202 [0,2,0,0,0,0|2,0,0]=4 26729 B13R1.84 CCc1ccccc1CCNCF 34a_100011663701_100015361967 [0,2,0,0,0,0|2,0,0]=4 26730 B13R1.84 CCc1ccccc1CNCCO 207a_100000210304_100011219594 [0,2,0,0,0,0|2,0,0]=4 26731 B13R1.84 CCc1ccccc1CNCCO 270004a_100000210304_100011219594 [0,2,0,0,0,0|2,0,0]=4 26732 B13R1.84 CCc1ccccc1COCCF 34a_100011663872_100011217306 [0,2,0,0,0,0|2,0,0]=4 26733 B13R1.84 CCc1ccccc1COCCF 7a_100011663872_100011217306 [0,2,0,0,0,0|2,0,0]=4 26734 B13R1.84 CCc1ccccc1COCCO 34a_100011663872_100000211926 [0,2,0,0,0,0|2,0,0]=4 26735 B13R1.84 CCc1ccccc1COCCO 7a_100011663872_100000211926 [0,2,0,0,0,0|2,0,0]=4 26736 B13R1.84 CCc1ccccc1NCCCF 2230a_100000212081_100011934791 [0,2,0,0,0,0|2,0,0]=4 26737 B13R1.84 CCc1ccccc1NCCCF 34a_100000212081_100011934791 [0,2,0,0,0,0|2,0,0]=4 26738 B13R1.84 CCc1ccccc1NCCCF 7a_100000212081_100011934791 [0,2,0,0,0,0|2,0,0]=4 26739 B13R1.84 CCc1ccccc1NCCCO 2230a_100000212081_100000230001 [0,2,0,0,0,0|2,0,0]=4 26740 B13R1.84 CCc1ccccc1NCCCO 34a_100000212081_100000230001 [0,2,0,0,0,0|2,0,0]=4 26741 B13R1.84 CCc1ccccc1NCCCO 7a_100000212081_100011215043 [0,2,0,0,0,0|2,0,0]=4 26742 B13R1.84 CCc1ccccc1OCCCF 34a_100000210936_100011934791 [0,2,0,0,0,0|2,0,0]=4 26743 B13R1.84 CCc1ccccc1OCCCF 7a_100000210936_100011934791 [0,2,0,0,0,0|2,0,0]=4 26744 B13R1.84 CCc1ccccc1OCCCO 34a_100000210936_100000230001 [0,2,0,0,0,0|2,0,0]=4 26745 B13R1.84 CCc1ccccc1OCCCO 7a_100000210936_100011215043 [0,2,0,0,0,0|2,0,0]=4 26746 B13R1.84 CCc1ccccc1SCCCF 62a_100011215823_100011934791 [0,2,0,0,0,0|2,0,0]=4 26747 B13R1.84 CCc1ccccc1SCCCF 62a_100011934791_100011215823 [0,2,0,0,0,0|2,0,0]=4 26748 B13R1.84 CCc1ccccc1SCCCO 62a_100011215043_100011215823 [0,2,0,0,0,0|2,0,0]=4 26749 B13R1.84 CCc1ccccc1SCCCO 62a_100011215823_100011215043 [0,2,0,0,0,0|2,0,0]=4 26750 B13R1.84 CNCCCc1ccccc1OC 270004a_106832991635_100011713476 [0,2,0,0,0,0|2,0,0]=4 26751 B13R1.84 CNc1ccccc1OCCCF 34a_100000033821_100011934791 [0,2,0,0,0,0|2,0,0]=4 26752 B13R1.84 CNc1ccccc1OCCCO 34a_100000033821_100000230001 [0,2,0,0,0,0|2,0,0]=4 26753 B13R1.84 CNc1ccccc1SCCCF 62a_100011934791_100020606079 [0,2,0,0,0,0|2,0,0]=4 26754 B13R1.84 CNc1ccccc1SCCCF 62a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 26755 B13R1.84 CNc1ccccc1SCCCO 62a_100011215043_100020606079 [0,2,0,0,0,0|2,0,0]=4 26756 B13R1.84 CNc1ccccc1SCCCO 62a_100020606079_100011215043 [0,2,0,0,0,0|2,0,0]=4 26757 B13R1.84 COCCCc1ccccc1OC 34a_100011709264_200000210301 [0,2,0,0,0,0|2,0,0]=4 26758 B13R1.84 COCCCc1ccccc1OC 7a_100011709264_200000210301 [0,2,0,0,0,0|2,0,0]=4 26759 B13R1.84 COc1ccccc1CCCO[13CH3] 34a_100011709264_200025704644 [0,2,0,0,0,0|2,0,0]=4 26760 B13R1.84 COc1ccccc1CCCO[13CH3] 7a_100011709264_200025704644 [0,2,0,0,0,0|2,0,0]=4 26761 B13R1.84 COc1ccccc1CCNCF 34a_100000211851_100015361967 [0,2,0,0,0,0|2,0,0]=4 26762 B13R1.84 COc1ccccc1CCOCF 34a_100011218620_100015361967 [0,2,0,0,0,0|2,0,0]=4 26763 B13R1.84 COc1ccccc1CCOCF 7a_100011218620_100015361967 [0,2,0,0,0,0|2,0,0]=4 26764 B13R1.84 COc1ccccc1CCSCF 62a_100011713687_100015361967 [0,2,0,0,0,0|2,0,0]=4 26765 B13R1.84 COc1ccccc1CCSCF 62a_100015361967_100011713687 [0,2,0,0,0,0|2,0,0]=4 26766 B13R1.84 COc1ccccc1CNCCF 34a_100000188900_100011217306 [0,2,0,0,0,0|2,0,0]=4 26767 B13R1.84 COc1ccccc1CNCCF 34a_100000724931_100000210004 [0,2,0,0,0,0|2,0,0]=4 26768 B13R1.84 COc1ccccc1CNCCO 207a_100000210304_100000169842 [0,2,0,0,0,0|2,0,0]=4 26769 B13R1.84 COc1ccccc1CNCCO 2230a_100016997473_100000210004 [0,2,0,0,0,0|2,0,0]=4 26770 B13R1.84 COc1ccccc1CNCCO 270004a_100000210304_100000169842 [0,2,0,0,0,0|2,0,0]=4 26771 B13R1.84 COc1ccccc1CNCCO 34a_100000188900_100000211926 [0,2,0,0,0,0|2,0,0]=4 26772 B13R1.84 COc1ccccc1CNCCO 34a_100016990907_100000210004 [0,2,0,0,0,0|2,0,0]=4 26773 B13R1.84 COc1ccccc1COCCBr 34a_100000211926_100000210004 [0,2,0,0,0,0|2,0,0]=4 26774 B13R1.84 COc1ccccc1COCCF 34a_100000211301_100011217306 [0,2,0,0,0,0|2,0,0]=4 26775 B13R1.84 COc1ccccc1COCCN 34a_100000210304_100000210004 [0,2,0,0,0,0|1,0,0]=3 26776 B13R1.84 COc1ccccc1COCCO 34a_100000211301_100000211926 [0,2,0,0,0,0|2,0,0]=4 26777 B13R1.84 COc1ccccc1CSCCF 62a_100000210004_100011217306 [0,2,0,0,0,0|2,0,0]=4 26778 B13R1.84 COc1ccccc1CSCCF 62a_100011217306_100000210004 [0,2,0,0,0,0|2,0,0]=4 26779 B13R1.84 COc1ccccc1CSCCO 62a_100000210004_100000211926 [0,2,0,0,0,0|2,0,0]=4 26780 B13R1.84 COc1ccccc1CSCCO 62a_100000211926_100000210004 [0,2,0,0,0,0|2,0,0]=4 26781 B13R1.84 COc1ccccc1NCCCF 34a_100000210025_100011934791 [0,2,0,0,0,0|2,0,0]=4 26782 B13R1.84 COc1ccccc1NCCCO 34a_100000210025_100000230001 [0,2,0,0,0,0|2,0,0]=4 26783 B13R1.84 COc1ccccc1OCCCF 34a_100000210385_100011934791 [0,2,0,0,0,0|2,0,0]=4 26784 B13R1.84 COc1ccccc1OCCCO 34a_100000210385_100000230001 [0,2,0,0,0,0|2,0,0]=4 26785 B13R1.84 COc1ccccc1SCCCF 62a_100000210334_100011934791 [0,2,0,0,0,0|2,0,0]=4 26786 B13R1.84 COc1ccccc1SCCCF 62a_100011934791_100000210334 [0,2,0,0,0,0|2,0,0]=4 26787 B13R1.84 COc1ccccc1SCCCO 62a_100000210334_100011215043 [0,2,0,0,0,0|2,0,0]=4 26788 B13R1.84 COc1ccccc1SCCCO 62a_100011215043_100000210334 [0,2,0,0,0,0|2,0,0]=4 26789 B13R1.84 COc1ncccc1COCCN 34a_100000210304_100020631285 [0,2,0,0,0,0|2,0,0]=4 26790 B13R1.84 CSc1ccccc1CCCCO 62a_100012092669_200000210301 [0,2,0,0,0,0|1,0,0]=3 26791 B13R1.84 CSc1ccccc1CCCCO 62a_200000210301_100012092669 [0,2,0,0,0,0|1,0,0]=3 26792 B13R1.84 CSc1ccccc1CNCCF 34a_100000724931_100000699184 [0,2,0,0,0,0|2,0,0]=4 26793 B13R1.84 CSc1ccccc1CNCCF 34a_102495365025_100011217306 [0,2,0,0,0,0|2,0,0]=4 26794 B13R1.84 CSc1ccccc1CNCCO 207a_100000210304_100011217347 [0,2,0,0,0,0|2,0,0]=4 26795 B13R1.84 CSc1ccccc1CNCCO 2230a_100016997473_100000699184 [0,2,0,0,0,0|2,0,0]=4 26796 B13R1.84 CSc1ccccc1CNCCO 270004a_100000210304_100011217347 [0,2,0,0,0,0|2,0,0]=4 26797 B13R1.84 CSc1ccccc1CNCCO 34a_100016990907_100000699184 [0,2,0,0,0,0|2,0,0]=4 26798 B13R1.84 CSc1ccccc1CNCCO 34a_102495365025_100000211926 [0,2,0,0,0,0|2,0,0]=4 26799 B13R1.84 CSc1ccccc1CNCCO 62a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 26800 B13R1.84 CSc1ccccc1CNCCO 62a_200000210301_106744479749 [0,2,0,0,0,0|2,0,0]=4 26801 B13R1.84 CSc1ccccc1COCCBr 34a_100000211926_100000699184 [0,2,0,0,0,0|2,0,0]=4 26802 B13R1.84 CSc1ccccc1COCCF 34a_100000699167_100011217306 [0,2,0,0,0,0|2,0,0]=4 26803 B13R1.84 CSc1ccccc1COCCN 34a_100000210304_100000699184 [0,2,0,0,0,0|1,0,0]=3 26804 B13R1.84 CSc1ccccc1COCCO 34a_100000699167_100000211926 [0,2,0,0,0,0|2,0,0]=4 26805 B13R1.84 CSc1ccccc1CSCCF 62a_100000699184_100011217306 [0,2,0,0,0,0|2,0,0]=4 26806 B13R1.84 CSc1ccccc1CSCCF 62a_100011217306_100000699184 [0,2,0,0,0,0|2,0,0]=4 26807 B13R1.84 CSc1ccccc1CSCCO 62a_100000211926_100000699184 [0,2,0,0,0,0|2,0,0]=4 26808 B13R1.84 CSc1ccccc1CSCCO 62a_100000699184_100000211926 [0,2,0,0,0,0|2,0,0]=4 26809 B13R1.84 CSc1ccccc1NCCCF 34a_100000211160_100011934791 [0,2,0,0,0,0|2,0,0]=4 26810 B13R1.84 CSc1ccccc1NCCCO 34a_100000211160_100000230001 [0,2,0,0,0,0|2,0,0]=4 26811 B13R1.84 CSc1ccccc1OCCCF 34a_100011216402_100011934791 [0,2,0,0,0,0|2,0,0]=4 26812 B13R1.84 CSc1ccccc1OCCCO 34a_100011216402_100000230001 [0,2,0,0,0,0|2,0,0]=4 26813 B13R1.84 CSc1ccccc1SCCCF 62a_100011217816_100011934791 [0,2,0,0,0,0|2,0,0]=4 26814 B13R1.84 CSc1ccccc1SCCCF 62a_100011934791_100011217816 [0,2,0,0,0,0|2,0,0]=4 26815 B13R1.84 CSc1ccccc1SCCCO 62a_100011215043_100011217816 [0,2,0,0,0,0|2,0,0]=4 26816 B13R1.84 CSc1ccccc1SCCCO 62a_100011217816_100011215043 [0,2,0,0,0,0|2,0,0]=4 26817 B13R1.84 FCCOCc1ccccc1CBr 34a_100009816955_100011217306 [0,2,0,0,0,0|2,0,0]=4 26818 B13R1.84 FCCOCc1ccccc1CBr 7a_100009816955_100011217306 [0,2,0,0,0,0|2,0,0]=4 26819 B13R1.84 FCNCCc1ccccc1[Pd]Cl 34a_106741704370_100015361967 [0,2,0,0,0,0|2,0,0]=4 26820 B13R1.84 FCNCCc1ccccc1[Pd]Cl 7a_106741704370_100015361967 [0,2,0,0,0,0|2,0,0]=4 26821 B13R1.84 N#Cc1ccccc1CCSCF 62a_100015361967_200013032965 [0,2,0,0,0,0|2,0,0]=4 26822 B13R1.84 N#Cc1ccccc1CNCCF 34a_100000724931_100000181865 [0,2,0,0,0,0|2,0,0]=4 26823 B13R1.84 N#Cc1ccccc1CNCCF 34a_100016989011_100011217306 [0,2,0,0,0,0|2,0,0]=4 26824 B13R1.84 N#Cc1ccccc1CNCCO 2230a_100016997473_100000181865 [0,2,0,0,0,0|2,0,0]=4 26825 B13R1.84 N#Cc1ccccc1CNCCO 34a_100016989011_100000211926 [0,2,0,0,0,0|2,0,0]=4 26826 B13R1.84 N#Cc1ccccc1CNCCO 34a_100016990907_100000181865 [0,2,0,0,0,0|2,0,0]=4 26827 B13R1.84 N#Cc1ccccc1COCCBr 34a_100000211926_100000181865 [0,2,0,0,0,0|2,0,0]=4 26828 B13R1.84 N#Cc1ccccc1COCCF 34a_200011269968_100011217306 [0,2,0,0,0,0|2,0,0]=4 26829 B13R1.84 N#Cc1ccccc1COCCF 7a_200011269968_100011217306 [0,2,0,0,0,0|2,0,0]=4 26830 B13R1.84 N#Cc1ccccc1COCCN 34a_100000210304_100000181865 [0,2,0,0,0,0|1,0,0]=3 26831 B13R1.84 N#Cc1ccccc1COCCO 34a_200011269968_100000211926 [0,2,0,0,0,0|2,0,0]=4 26832 B13R1.84 N#Cc1ccccc1COCCO 7a_200011269968_100000211926 [0,2,0,0,0,0|2,0,0]=4 26833 B13R1.84 N#Cc1ccccc1CSCCF 62a_100000186380_100011217306 [0,2,0,0,0,0|2,0,0]=4 26834 B13R1.84 N#Cc1ccccc1CSCCF 62a_100011217306_100000181865 [0,2,0,0,0,0|2,0,0]=4 26835 B13R1.84 N#Cc1ccccc1CSCCO 62a_100000186380_100000211926 [0,2,0,0,0,0|2,0,0]=4 26836 B13R1.84 N#Cc1ccccc1CSCCO 62a_100000211926_100000181865 [0,2,0,0,0,0|2,0,0]=4 26837 B13R1.84 N#Cc1ccccc1NCCCF 34a_100000211148_100011934791 [0,2,0,0,0,0|2,0,0]=4 26838 B13R1.84 N#Cc1ccccc1NCCCO 34a_100000211148_100000230001 [0,2,0,0,0,0|2,0,0]=4 26839 B13R1.84 N#Cc1ccccc1OCCCF 34a_100000211048_100011934791 [0,2,0,0,0,0|2,0,0]=4 26840 B13R1.84 N#Cc1ccccc1OCCCF 7a_100000211048_100011934791 [0,2,0,0,0,0|2,0,0]=4 26841 B13R1.84 N#Cc1ccccc1OCCCO 34a_100000211048_100000230001 [0,2,0,0,0,0|2,0,0]=4 26842 B13R1.84 N#Cc1ccccc1OCCCO 7a_100000211048_100011215043 [0,2,0,0,0,0|2,0,0]=4 26843 B13R1.84 N#Cc1ccccc1SCCCF 62a_100011934791_100000188569 [0,2,0,0,0,0|2,0,0]=4 26844 B13R1.84 N#Cc1ccccc1SCCCO 62a_100011215043_100000188569 [0,2,0,0,0,0|2,0,0]=4 26845 B13R1.84 N#Cc1ncccc1COCCN 34a_100000210304_100011768898 [0,2,0,0,0,0|2,0,0]=4 26846 B13R1.84 NCCOCc1ccccc1C=O 34a_100000210304_200009853537 [0,2,0,0,0,0|1,0,0]=3 26847 B13R1.84 NCCOCc1ccccc1CO 34a_100000210304_100009816955 [0,2,0,0,0,0|1,0,0]=3 26848 B13R1.84 NCc1ccccc1COCCF 34a_100000743596_100011217306 [0,2,0,0,0,0|2,0,0]=4 26849 B13R1.84 NCc1ccccc1COCCO 34a_100000743596_100000211926 [0,2,0,0,0,0|2,0,0]=4 26850 B13R1.84 NCc1ccccc1OCCCF 34a_100000185550_100011934791 [0,2,0,0,0,0|2,0,0]=4 26851 B13R1.84 NCc1ccccc1OCCCO 34a_100000185550_100000230001 [0,2,0,0,0,0|2,0,0]=4 26852 B13R1.84 NCc1ccccc1SCCCF 62a_100000689332_100011934791 [0,2,0,0,0,0|2,0,0]=4 26853 B13R1.84 NCc1ccccc1SCCCF 62a_100011934791_100000689332 [0,2,0,0,0,0|2,0,0]=4 26854 B13R1.84 NCc1ccccc1SCCCO 62a_100000689332_100011215043 [0,2,0,0,0,0|2,0,0]=4 26855 B13R1.84 NCc1ccccc1SCCCO 62a_100011215043_100000689332 [0,2,0,0,0,0|2,0,0]=4 26856 B13R1.84 NNc1ccccc1SCCCF 62a_100000241748_100011934791 [0,2,0,0,0,0|2,0,0]=4 26857 B13R1.84 NNc1ccccc1SCCCF 62a_100011934791_100000241748 [0,2,0,0,0,0|2,0,0]=4 26858 B13R1.84 NNc1ccccc1SCCCO 62a_100000241748_100011215043 [0,2,0,0,0,0|2,0,0]=4 26859 B13R1.84 NNc1ccccc1SCCCO 62a_100011215043_100000241748 [0,2,0,0,0,0|2,0,0]=4 26860 B13R1.84 O=Cc1ccccc1CCSCF 62a_100010186698_100015361967 [0,2,0,0,0,0|2,0,0]=4 26861 B13R1.84 O=Cc1ccccc1CCSCF 62a_100015361967_100010186698 [0,2,0,0,0,0|2,0,0]=4 26862 B13R1.84 O=Cc1ccccc1CNCCF 34a_100000724931_200009853537 [0,2,0,0,0,0|2,0,0]=4 26863 B13R1.84 O=Cc1ccccc1CNCCO 2230a_100016997473_200009853537 [0,2,0,0,0,0|2,0,0]=4 26864 B13R1.84 O=Cc1ccccc1CNCCO 34a_100016990907_200009853537 [0,2,0,0,0,0|2,0,0]=4 26865 B13R1.84 O=Cc1ccccc1COCCBr 34a_100000211926_200009853537 [0,2,0,0,0,0|2,0,0]=4 26866 B13R1.84 O=Cc1ccccc1CSCCF 62a_100011217306_200009853537 [0,2,0,0,0,0|2,0,0]=4 26867 B13R1.84 O=Cc1ccccc1CSCCF 62a_200009853537_100011217306 [0,2,0,0,0,0|2,0,0]=4 26868 B13R1.84 O=Cc1ccccc1CSCCO 62a_100000211926_200009853537 [0,2,0,0,0,0|2,0,0]=4 26869 B13R1.84 O=Cc1ccccc1CSCCO 62a_200009853537_100000211926 [0,2,0,0,0,0|2,0,0]=4 26870 B13R1.84 O=Cc1ccccc1SCCCF 62a_100000210073_100011934791 [0,2,0,0,0,0|2,0,0]=4 26871 B13R1.84 O=Cc1ccccc1SCCCF 62a_100011934791_100000210073 [0,2,0,0,0,0|2,0,0]=4 26872 B13R1.84 O=Cc1ccccc1SCCCO 62a_100000210073_100011215043 [0,2,0,0,0,0|2,0,0]=4 26873 B13R1.84 O=Cc1ccccc1SCCCO 62a_100011215043_100000210073 [0,2,0,0,0,0|2,0,0]=4 26874 B13R1.84 OCCCNc1ccccc1CO 34a_100000212039_100000230001 [0,2,0,0,0,0|2,0,0]=4 26875 B13R1.84 OCCCOc1ccccc1CO 34a_100011216872_100000230001 [0,2,0,0,0,0|2,0,0]=4 26876 B13R1.84 OCCCSc1ccccc1CO 62a_100000187465_100011215043 [0,2,0,0,0,0|2,0,0]=4 26877 B13R1.84 OCCCSc1ccccc1CO 62a_100011215043_100000187465 [0,2,0,0,0,0|2,0,0]=4 26878 B13R1.84 OCCNCc1ccccc1CO 2230a_100016997473_100009816955 [0,2,0,0,0,0|2,0,0]=4 26879 B13R1.84 OCCNCc1ccccc1CO 34a_100016990907_100009816955 [0,2,0,0,0,0|2,0,0]=4 26880 B13R1.84 OCCOCc1ccccc1CBr 34a_100009816955_100000211926 [0,2,0,0,0,0|2,0,0]=4 26881 B13R1.84 OCCOCc1ccccc1CBr 7a_100009816955_100000211926 [0,2,0,0,0,0|2,0,0]=4 26882 B13R1.84 OCCSCc1ccccc1CO 62a_100000211926_100009816955 [0,2,0,0,0,0|2,0,0]=4 26883 B13R1.84 OCCSCc1ccccc1CO 62a_100009816955_100000211926 [0,2,0,0,0,0|2,0,0]=4 26884 B13R1.84 OCc1ccccc1CNCCF 34a_100000724931_100009816955 [0,2,0,0,0,0|2,0,0]=4 26885 B13R1.84 OCc1ccccc1COCCBr 34a_100000211926_100009816955 [0,2,0,0,0,0|2,0,0]=4 26886 B13R1.84 OCc1ccccc1CSCCF 62a_100009816955_100011217306 [0,2,0,0,0,0|2,0,0]=4 26887 B13R1.84 OCc1ccccc1CSCCF 62a_100011217306_100009816955 [0,2,0,0,0,0|2,0,0]=4 26888 B13R1.84 OCc1ccccc1NCCCF 34a_100000212039_100011934791 [0,2,0,0,0,0|2,0,0]=4 26889 B13R1.84 OCc1ccccc1OCCCF 34a_100011216872_100011934791 [0,2,0,0,0,0|2,0,0]=4 26890 B13R1.84 OCc1ccccc1SCCCF 62a_100000187465_100011934791 [0,2,0,0,0,0|2,0,0]=4 26891 B13R1.84 OCc1ccccc1SCCCF 62a_100011934791_100000187465 [0,2,0,0,0,0|2,0,0]=4 26892 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_100012092669_200025704644 [0,2,0,0,0,0|1,0,0]=3 26893 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_200025704644_100012092669 [0,2,0,0,0,0|1,0,0]=3 26894 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 26895 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_200025704644_106744479749 [0,2,0,0,0,0|2,0,0]=4 26896 B13R1.8919 BrCCOCc1c(cccc1I)Br 34a_100000211926_100010146611 [0,2,0,0,0,0|2,0,0]=4 26897 B13R1.8919 CCCCNc1c(cccc1Br)Br 34a_100000690995_100000210210 [0,2,0,0,0,0|2,0,0]=4 26898 B13R1.8919 CCCCNc1c(cccc1Br)C 34a_100011834072_100000210210 [0,2,0,0,0,0|2,0,0]=4 26899 B13R1.8919 CCCCNc1c(cccc1Br)Cl 34a_100102946385_100000210210 [0,2,0,0,0,0|2,0,0]=4 26900 B13R1.8919 CCCCNc1c(cccc1Br)F 34a_100000684712_100000210210 [0,2,0,0,0,0|2,0,0]=4 26901 B13R1.8919 CCCCNc1c(cccc1Br)O 34a_100011934926_100000210210 [0,2,0,0,0,0|2,0,0]=4 26902 B13R1.8919 CCCCNc1c(cccc1C)C 34a_100000185769_100000210210 [0,2,0,0,0,0|2,0,0]=4 26903 B13R1.8919 CCCCNc1c(cccc1Cl)C 34a_100000756524_100000210210 [0,2,0,0,0,0|2,0,0]=4 26904 B13R1.8919 CCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000210210 [0,2,0,0,0,0|2,0,0]=4 26905 B13R1.8919 CCCCNc1c(cccc1Cl)F 34a_100000760031_100000210210 [0,2,0,0,0,0|2,0,0]=4 26906 B13R1.8919 CCCCNc1c(cccc1Cl)O 34a_100012022510_100000210210 [0,2,0,0,0,0|2,0,0]=4 26907 B13R1.8919 CCCCNc1c(cccc1F)C 34a_100000766463_100000210210 [0,2,0,0,0,0|2,0,0]=4 26908 B13R1.8919 CCCCNc1c(cccc1F)F 2230a_100000210704_100000210211 [0,2,0,0,0,0|2,0,0]=4 26909 B13R1.8919 CCCCNc1c(cccc1F)F 34a_100000210704_100000210210 [0,2,0,0,0,0|2,0,0]=4 26910 B13R1.8919 CCCCNc1c(cccc1F)O 34a_100020591140_100000210210 [0,2,0,0,0,0|2,0,0]=4 26911 B13R1.8919 CCCCNc1c(cccc1I)F 34a_100000042321_100000210210 [0,2,0,0,0,0|2,0,0]=4 26912 B13R1.8919 CCCCNc1c(cccc1O)C 34a_100000743429_100000210210 [0,2,0,0,0,0|2,0,0]=4 26913 B13R1.8919 CCCCOc1c(cccc1Br)Br 34a_100000736428_100000210210 [0,2,0,0,0,0|2,0,0]=4 26914 B13R1.8919 CCCCOc1c(cccc1Br)Br 7a_100000736428_100000210211 [0,2,0,0,0,0|2,0,0]=4 26915 B13R1.8919 CCCCOc1c(cccc1Br)C 34a_100009817157_100000210210 [0,2,0,0,0,0|2,0,0]=4 26916 B13R1.8919 CCCCOc1c(cccc1Br)C 7a_100009817157_100000210211 [0,2,0,0,0,0|2,0,0]=4 26917 B13R1.8919 CCCCOc1c(cccc1Br)Cl 34a_100010214474_100000210210 [0,2,0,0,0,0|2,0,0]=4 26918 B13R1.8919 CCCCOc1c(cccc1Br)Cl 7a_100010214474_100000210211 [0,2,0,0,0,0|2,0,0]=4 26919 B13R1.8919 CCCCOc1c(cccc1Br)F 34a_100009813666_100000210210 [0,2,0,0,0,0|2,0,0]=4 26920 B13R1.8919 CCCCOc1c(cccc1Br)F 7a_100009813666_100000210211 [0,2,0,0,0,0|2,0,0]=4 26921 B13R1.8919 CCCCOc1c(cccc1Br)N 34a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 26922 B13R1.8919 CCCCOc1c(cccc1C)C 34a_100000210341_100000210210 [0,2,0,0,0,0|2,0,0]=4 26923 B13R1.8919 CCCCOc1c(cccc1C)C 7a_100000210341_100000210211 [0,2,0,0,0,0|2,0,0]=4 26924 B13R1.8919 CCCCOc1c(cccc1Cl)C 34a_100000033731_100000210210 [0,2,0,0,0,0|2,0,0]=4 26925 B13R1.8919 CCCCOc1c(cccc1Cl)C 7a_100000033731_100000210211 [0,2,0,0,0,0|2,0,0]=4 26926 B13R1.8919 CCCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210210 [0,2,0,0,0,0|2,0,0]=4 26927 B13R1.8919 CCCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210211 [0,2,0,0,0,0|2,0,0]=4 26928 B13R1.8919 CCCCOc1c(cccc1Cl)F 34a_100000694953_100000210210 [0,2,0,0,0,0|2,0,0]=4 26929 B13R1.8919 CCCCOc1c(cccc1Cl)F 7a_100000694953_100000210211 [0,2,0,0,0,0|2,0,0]=4 26930 B13R1.8919 CCCCOc1c(cccc1Cl)N 34a_100000754742_100000210210 [0,2,0,0,0,0|2,0,0]=4 26931 B13R1.8919 CCCCOc1c(cccc1F)C 34a_100011659162_100000210210 [0,2,0,0,0,0|2,0,0]=4 26932 B13R1.8919 CCCCOc1c(cccc1F)C 7a_100011659162_100000210211 [0,2,0,0,0,0|2,0,0]=4 26933 B13R1.8919 CCCCOc1c(cccc1F)F 34a_100000230165_100000210210 [0,2,0,0,0,0|2,0,0]=4 26934 B13R1.8919 CCCCOc1c(cccc1F)F 7a_100000230165_100000210211 [0,2,0,0,0,0|2,0,0]=4 26935 B13R1.8919 CCCCOc1c(cccc1F)N 34a_100011934987_100000210210 [0,2,0,0,0,0|2,0,0]=4 26936 B13R1.8919 CCCCOc1c(cccc1I)Br 34a_100010084509_100000210210 [0,2,0,0,0,0|2,0,0]=4 26937 B13R1.8919 CCCCOc1c(cccc1I)Br 7a_100010084509_100000210211 [0,2,0,0,0,0|2,0,0]=4 26938 B13R1.8919 CCCCOc1c(cccc1I)Cl 34a_100010202889_100000210210 [0,2,0,0,0,0|2,0,0]=4 26939 B13R1.8919 CCCCOc1c(cccc1I)Cl 7a_100010202889_100000210211 [0,2,0,0,0,0|2,0,0]=4 26940 B13R1.8919 CCCCOc1c(cccc1I)F 34a_100010186298_100000210210 [0,2,0,0,0,0|2,0,0]=4 26941 B13R1.8919 CCCCOc1c(cccc1I)F 7a_100010186298_100000210211 [0,2,0,0,0,0|2,0,0]=4 26942 B13R1.8919 CCCCOc1c(cccc1I)N 34a_100010084371_100000210210 [0,2,0,0,0,0|2,0,0]=4 26943 B13R1.8919 CCCCOc1c(cccc1N)C 34a_100000756359_100000210210 [0,2,0,0,0,0|2,0,0]=4 26944 B13R1.8919 CCCCOc1c(cccc1N)C 7a_100000756359_100000210211 [0,2,0,0,0,0|2,0,0]=4 26945 B13R1.8919 CCCCOc1c(cccc1N)N 34a_200016994477_100000210210 [0,2,0,0,0,0|2,0,0]=4 26946 B13R1.8919 CCCCSc1c(cccc1Br)C 62a_100000210211_100010141302 [0,2,0,0,0,0|2,0,0]=4 26947 B13R1.8919 CCCCSc1c(cccc1Br)C 62a_100010141302_100000210210 [0,2,0,0,0,0|2,0,0]=4 26948 B13R1.8919 CCCCSc1c(cccc1Br)Cl 62a_100000210211_100010214488 [0,2,0,0,0,0|2,0,0]=4 26949 B13R1.8919 CCCCSc1c(cccc1Br)Cl 62a_100010214488_100000210210 [0,2,0,0,0,0|2,0,0]=4 26950 B13R1.8919 CCCCSc1c(cccc1Br)F 62a_100000210211_100011219512 [0,2,0,0,0,0|2,0,0]=4 26951 B13R1.8919 CCCCSc1c(cccc1Br)F 62a_100011219512_100000210210 [0,2,0,0,0,0|2,0,0]=4 26952 B13R1.8919 CCCCSc1c(cccc1Br)N 62a_100000210211_100020590159 [0,2,0,0,0,0|2,0,0]=4 26953 B13R1.8919 CCCCSc1c(cccc1Br)N 62a_100020590159_100000210210 [0,2,0,0,0,0|2,0,0]=4 26954 B13R1.8919 CCCCSc1c(cccc1Br)O 62a_100000210211_100010187912 [0,2,0,0,0,0|2,0,0]=4 26955 B13R1.8919 CCCCSc1c(cccc1Br)O 62a_100010187912_100000210210 [0,2,0,0,0,0|2,0,0]=4 26956 B13R1.8919 CCCCSc1c(cccc1C)C 62a_100000033847_100000210210 [0,2,0,0,0,0|2,0,0]=4 26957 B13R1.8919 CCCCSc1c(cccc1C)C 62a_100000210211_100000033847 [0,2,0,0,0,0|2,0,0]=4 26958 B13R1.8919 CCCCSc1c(cccc1Cl)C 62a_100000043165_100000210210 [0,2,0,0,0,0|2,0,0]=4 26959 B13R1.8919 CCCCSc1c(cccc1Cl)C 62a_100000210211_100000043165 [0,2,0,0,0,0|2,0,0]=4 26960 B13R1.8919 CCCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210210 [0,2,0,0,0,0|2,0,0]=4 26961 B13R1.8919 CCCCSc1c(cccc1Cl)Cl 62a_100000210211_100000034237 [0,2,0,0,0,0|2,0,0]=4 26962 B13R1.8919 CCCCSc1c(cccc1Cl)F 62a_100000050007_100000210210 [0,2,0,0,0,0|2,0,0]=4 26963 B13R1.8919 CCCCSc1c(cccc1Cl)F 62a_100000210211_100000050007 [0,2,0,0,0,0|2,0,0]=4 26964 B13R1.8919 CCCCSc1c(cccc1Cl)N 62a_100000049713_100000210210 [0,2,0,0,0,0|2,0,0]=4 26965 B13R1.8919 CCCCSc1c(cccc1Cl)N 62a_100000210211_100000049713 [0,2,0,0,0,0|2,0,0]=4 26966 B13R1.8919 CCCCSc1c(cccc1Cl)O 62a_100000210211_100000050174 [0,2,0,0,0,0|2,0,0]=4 26967 B13R1.8919 CCCCSc1c(cccc1F)C 62a_100000210211_100011218421 [0,2,0,0,0,0|2,0,0]=4 26968 B13R1.8919 CCCCSc1c(cccc1F)C 62a_100011218421_100000210210 [0,2,0,0,0,0|2,0,0]=4 26969 B13R1.8919 CCCCSc1c(cccc1F)F 62a_100000210211_100000693133 [0,2,0,0,0,0|2,0,0]=4 26970 B13R1.8919 CCCCSc1c(cccc1F)F 62a_100000693133_100000210210 [0,2,0,0,0,0|2,0,0]=4 26971 B13R1.8919 CCCCSc1c(cccc1F)N 62a_100000210211_100000690935 [0,2,0,0,0,0|2,0,0]=4 26972 B13R1.8919 CCCCSc1c(cccc1F)N 62a_100000690935_100000210210 [0,2,0,0,0,0|2,0,0]=4 26973 B13R1.8919 CCCCSc1c(cccc1F)O 62a_100000210211_100009820682 [0,2,0,0,0,0|2,0,0]=4 26974 B13R1.8919 CCCCSc1c(cccc1F)O 62a_100009820682_100000210210 [0,2,0,0,0,0|2,0,0]=4 26975 B13R1.8919 CCCCSc1c(cccc1N)C 62a_100000210211_100000684715 [0,2,0,0,0,0|2,0,0]=4 26976 B13R1.8919 CCCCSc1c(cccc1N)C 62a_100000684715_100000210210 [0,2,0,0,0,0|2,0,0]=4 26977 B13R1.8919 CCCCSc1c(cccc1O)C 62a_100000210211_100000686692 [0,2,0,0,0,0|2,0,0]=4 26978 B13R1.8919 CCCCSc1c(cccc1O)C 62a_100000686692_100000210210 [0,2,0,0,0,0|2,0,0]=4 26979 B13R1.8919 CCCCSc1c(cccc1O)N 62a_100000210211_100012183704 [0,2,0,0,0,0|2,0,0]=4 26980 B13R1.8919 CCCCSc1c(cccc1O)N 62a_100012183704_100000210210 [0,2,0,0,0,0|2,0,0]=4 26981 B13R1.8919 CCCCSc1c(cccc1O)O 62a_100000210211_100010205330 [0,2,0,0,0,0|2,0,0]=4 26982 B13R1.8919 CCCNCc1c(cccc1Br)Br 207a_100020643023_100010233043 [0,2,0,0,0,0|2,0,0]=4 26983 B13R1.8919 CCCNCc1c(cccc1Br)Br 270004a_100020643023_100010233043 [0,2,0,0,0,0|2,0,0]=4 26984 B13R1.8919 CCCNCc1c(cccc1Br)C 207a_100020643023_100009881667 [0,2,0,0,0,0|2,0,0]=4 26985 B13R1.8919 CCCNCc1c(cccc1Br)C 270004a_100020643023_100009881667 [0,2,0,0,0,0|2,0,0]=4 26986 B13R1.8919 CCCNCc1c(cccc1Br)Cl 207a_100020643023_100011249081 [0,2,0,0,0,0|2,0,0]=4 26987 B13R1.8919 CCCNCc1c(cccc1Br)Cl 270004a_100020643023_100011249081 [0,2,0,0,0,0|2,0,0]=4 26988 B13R1.8919 CCCNCc1c(cccc1Br)F 207a_100020643023_100000752695 [0,2,0,0,0,0|2,0,0]=4 26989 B13R1.8919 CCCNCc1c(cccc1Br)F 270004a_100020643023_100000752695 [0,2,0,0,0,0|2,0,0]=4 26990 B13R1.8919 CCCNCc1c(cccc1Br)F 34a_100012349121_100000210303 [0,2,0,0,0,0|2,0,0]=4 26991 B13R1.8919 CCCNCc1c(cccc1C)C 207a_100020643023_100000758299 [0,2,0,0,0,0|2,0,0]=4 26992 B13R1.8919 CCCNCc1c(cccc1C)C 270004a_100020643023_100000758299 [0,2,0,0,0,0|2,0,0]=4 26993 B13R1.8919 CCCNCc1c(cccc1C)C 34a_100000689800_100000210303 [0,2,0,0,0,0|2,0,0]=4 26994 B13R1.8919 CCCNCc1c(cccc1Cl)C 207a_100020643023_100000041122 [0,2,0,0,0,0|2,0,0]=4 26995 B13R1.8919 CCCNCc1c(cccc1Cl)C 270004a_100020643023_100000041122 [0,2,0,0,0,0|2,0,0]=4 26996 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 207a_100020643023_100000189306 [0,2,0,0,0,0|2,0,0]=4 26997 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210303 [0,2,0,0,0,0|2,0,0]=4 26998 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 270004a_100020643023_100000189306 [0,2,0,0,0,0|2,0,0]=4 26999 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210303 [0,2,0,0,0,0|2,0,0]=4 27000 B13R1.8919 CCCNCc1c(cccc1Cl)F 207a_100020643023_100000210083 [0,2,0,0,0,0|2,0,0]=4 27001 B13R1.8919 CCCNCc1c(cccc1Cl)F 270004a_100020643023_100000210083 [0,2,0,0,0,0|2,0,0]=4 27002 B13R1.8919 CCCNCc1c(cccc1Cl)F 34a_100000174883_100000210303 [0,2,0,0,0,0|2,0,0]=4 27003 B13R1.8919 CCCNCc1c(cccc1F)C 207a_100020643023_100000069827 [0,2,0,0,0,0|2,0,0]=4 27004 B13R1.8919 CCCNCc1c(cccc1F)C 270004a_100020643023_100000069827 [0,2,0,0,0,0|2,0,0]=4 27005 B13R1.8919 CCCNCc1c(cccc1F)C 34a_100000762012_100000210303 [0,2,0,0,0,0|2,0,0]=4 27006 B13R1.8919 CCCNCc1c(cccc1F)F 207a_100020643023_100000211061 [0,2,0,0,0,0|2,0,0]=4 27007 B13R1.8919 CCCNCc1c(cccc1F)F 270004a_100020643023_100000211061 [0,2,0,0,0,0|2,0,0]=4 27008 B13R1.8919 CCCNCc1c(cccc1F)F 34a_100000688400_100000210303 [0,2,0,0,0,0|2,0,0]=4 27009 B13R1.8919 CCCNCc1c(cccc1I)Cl 207a_100020643023_100010147682 [0,2,0,0,0,0|2,0,0]=4 27010 B13R1.8919 CCCNCc1c(cccc1I)Cl 270004a_100020643023_100010147682 [0,2,0,0,0,0|2,0,0]=4 27011 B13R1.8919 CCCNCc1c(cccc1I)F 207a_100020643023_100010178011 [0,2,0,0,0,0|2,0,0]=4 27012 B13R1.8919 CCCNCc1c(cccc1I)F 270004a_100020643023_100010178011 [0,2,0,0,0,0|2,0,0]=4 27013 B13R1.8919 CCCOCc1c(cccc1Br)Br 34a_100010172814_100000210303 [0,2,0,0,0,0|2,0,0]=4 27014 B13R1.8919 CCCOCc1c(cccc1Br)Br 7a_100010172814_100000210303 [0,2,0,0,0,0|2,0,0]=4 27015 B13R1.8919 CCCOCc1c(cccc1Br)C 34a_100000210258_100010146847 [0,2,0,0,0,0|2,0,0]=4 27016 B13R1.8919 CCCOCc1c(cccc1Br)Cl 34a_100000210258_100010138402 [0,2,0,0,0,0|2,0,0]=4 27017 B13R1.8919 CCCOCc1c(cccc1Br)F 34a_100000210258_100012145669 [0,2,0,0,0,0|2,0,0]=4 27018 B13R1.8919 CCCOCc1c(cccc1Br)F 34a_100012355691_100000210303 [0,2,0,0,0,0|2,0,0]=4 27019 B13R1.8919 CCCOCc1c(cccc1Br)F 7a_100012355691_100000210303 [0,2,0,0,0,0|2,0,0]=4 27020 B13R1.8919 CCCOCc1c(cccc1Br)N 34a_100000747656_100000210303 [0,2,0,0,0,0|2,0,0]=4 27021 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100000210258_100000758300 [0,2,0,0,0,0|2,0,0]=4 27022 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100011933981_100000210303 [0,2,0,0,0,0|2,0,0]=4 27023 B13R1.8919 CCCOCc1c(cccc1C)C 7a_100011933981_100000210303 [0,2,0,0,0,0|2,0,0]=4 27024 B13R1.8919 CCCOCc1c(cccc1Cl)C 34a_100000082531_100000210303 [0,2,0,0,0,0|2,0,0]=4 27025 B13R1.8919 CCCOCc1c(cccc1Cl)C 7a_100000082531_100000210303 [0,2,0,0,0,0|2,0,0]=4 27026 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 34a_100000210258_100000187851 [0,2,0,0,0,0|2,0,0]=4 27027 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 34a_100000215722_100000210303 [0,2,0,0,0,0|2,0,0]=4 27028 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 7a_100000215722_100000210303 [0,2,0,0,0,0|2,0,0]=4 27029 B13R1.8919 CCCOCc1c(cccc1Cl)F 34a_100000210258_100000187852 [0,2,0,0,0,0|2,0,0]=4 27030 B13R1.8919 CCCOCc1c(cccc1Cl)F 34a_100000215723_100000210303 [0,2,0,0,0,0|2,0,0]=4 27031 B13R1.8919 CCCOCc1c(cccc1Cl)F 7a_100000215723_100000210303 [0,2,0,0,0,0|2,0,0]=4 27032 B13R1.8919 CCCOCc1c(cccc1Cl)N 34a_100011916388_100000210303 [0,2,0,0,0,0|2,0,0]=4 27033 B13R1.8919 CCCOCc1c(cccc1F)C 34a_100000057874_100000210303 [0,2,0,0,0,0|2,0,0]=4 27034 B13R1.8919 CCCOCc1c(cccc1F)C 34a_100000210258_100009814554 [0,2,0,0,0,0|2,0,0]=4 27035 B13R1.8919 CCCOCc1c(cccc1F)C 7a_100000057874_100000210303 [0,2,0,0,0,0|2,0,0]=4 27036 B13R1.8919 CCCOCc1c(cccc1F)F 34a_100000210258_100000698325 [0,2,0,0,0,0|2,0,0]=4 27037 B13R1.8919 CCCOCc1c(cccc1F)F 34a_100000698215_100000210303 [0,2,0,0,0,0|2,0,0]=4 27038 B13R1.8919 CCCOCc1c(cccc1F)F 7a_100000698215_100000210303 [0,2,0,0,0,0|2,0,0]=4 27039 B13R1.8919 CCCOCc1c(cccc1F)N 34a_100011846719_100000210303 [0,2,0,0,0,0|2,0,0]=4 27040 B13R1.8919 CCCOCc1c(cccc1I)Br 34a_100000210258_100010146611 [0,2,0,0,0,0|2,0,0]=4 27041 B13R1.8919 CCCOCc1c(cccc1I)C 34a_100000210258_100010150146 [0,2,0,0,0,0|2,0,0]=4 27042 B13R1.8919 CCCOCc1c(cccc1I)F 34a_100000210258_100010149602 [0,2,0,0,0,0|2,0,0]=4 27043 B13R1.8919 CCCOCc1c(cccc1I)F 34a_100010214973_100000210303 [0,2,0,0,0,0|2,0,0]=4 27044 B13R1.8919 CCCOCc1c(cccc1I)F 7a_100010214973_100000210303 [0,2,0,0,0,0|2,0,0]=4 27045 B13R1.8919 CCCSCc1c(cccc1Br)C 62a_100000210303_100010146847 [0,2,0,0,0,0|2,0,0]=4 27046 B13R1.8919 CCCSCc1c(cccc1Br)C 62a_100010146847_100000210303 [0,2,0,0,0,0|2,0,0]=4 27047 B13R1.8919 CCCSCc1c(cccc1Br)Cl 62a_100000210303_100010138402 [0,2,0,0,0,0|2,0,0]=4 27048 B13R1.8919 CCCSCc1c(cccc1Br)Cl 62a_100010138402_100000210303 [0,2,0,0,0,0|2,0,0]=4 27049 B13R1.8919 CCCSCc1c(cccc1Br)F 62a_100000210303_100012145669 [0,2,0,0,0,0|2,0,0]=4 27050 B13R1.8919 CCCSCc1c(cccc1Br)F 62a_100012145669_100000210303 [0,2,0,0,0,0|2,0,0]=4 27051 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000210303_100000758300 [0,2,0,0,0,0|2,0,0]=4 27052 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000758300_100000210303 [0,2,0,0,0,0|2,0,0]=4 27053 B13R1.8919 CCCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210303 [0,2,0,0,0,0|2,0,0]=4 27054 B13R1.8919 CCCSCc1c(cccc1Cl)Cl 62a_100000210303_100000187851 [0,2,0,0,0,0|2,0,0]=4 27055 B13R1.8919 CCCSCc1c(cccc1Cl)F 62a_100000187852_100000210303 [0,2,0,0,0,0|2,0,0]=4 27056 B13R1.8919 CCCSCc1c(cccc1Cl)F 62a_100000210303_100000187852 [0,2,0,0,0,0|2,0,0]=4 27057 B13R1.8919 CCCSCc1c(cccc1F)C 62a_100000210303_100009814554 [0,2,0,0,0,0|2,0,0]=4 27058 B13R1.8919 CCCSCc1c(cccc1F)C 62a_100009814554_100000210303 [0,2,0,0,0,0|2,0,0]=4 27059 B13R1.8919 CCCSCc1c(cccc1F)F 62a_100000210303_100000698325 [0,2,0,0,0,0|2,0,0]=4 27060 B13R1.8919 CCCSCc1c(cccc1F)F 62a_100000709179_100000210303 [0,2,0,0,0,0|2,0,0]=4 27061 B13R1.8919 CCCSCc1c(cccc1I)Br 62a_100000210303_100010146611 [0,2,0,0,0,0|2,0,0]=4 27062 B13R1.8919 CCCSCc1c(cccc1I)Br 62a_100010146611_100000210303 [0,2,0,0,0,0|2,0,0]=4 27063 B13R1.8919 CCCSCc1c(cccc1I)C 62a_100000210303_100010150146 [0,2,0,0,0,0|2,0,0]=4 27064 B13R1.8919 CCCSCc1c(cccc1I)C 62a_100010150146_100000210303 [0,2,0,0,0,0|2,0,0]=4 27065 B13R1.8919 CCCSCc1c(cccc1I)F 62a_100000210303_100010149602 [0,2,0,0,0,0|2,0,0]=4 27066 B13R1.8919 CCCSCc1c(cccc1I)F 62a_100010149602_100000210303 [0,2,0,0,0,0|2,0,0]=4 27067 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100015525214_100012161200 [0,2,0,0,0,0|2,0,0]=4 27068 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000210202 [0,2,0,0,0,0|2,0,0]=4 27069 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000210202 [0,2,0,0,0,0|2,0,0]=4 27070 B13R1.8919 CCNCCc1c(cccc1Cl)F 2230a_100000688150_100000210202 [0,2,0,0,0,0|2,0,0]=4 27071 B13R1.8919 CCNCCc1c(cccc1Cl)F 34a_100000688150_100000210202 [0,2,0,0,0,0|2,0,0]=4 27072 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 34a_100011934077_100000210202 [0,2,0,0,0,0|2,0,0]=4 27073 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 34a_100121572206_100012161200 [0,2,0,0,0,0|2,0,0]=4 27074 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 7a_100011934077_100000210202 [0,2,0,0,0,0|2,0,0]=4 27075 B13R1.8919 CCOCCc1c(cccc1Cl)F 34a_100011273940_100000210202 [0,2,0,0,0,0|2,0,0]=4 27076 B13R1.8919 CCOCCc1c(cccc1Cl)F 7a_100011273940_100000210202 [0,2,0,0,0,0|2,0,0]=4 27077 B13R1.8919 CCOCCc1c(cccc1F)F 34a_100011975733_100000210202 [0,2,0,0,0,0|2,0,0]=4 27078 B13R1.8919 CCOCCc1c(cccc1F)F 7a_100011975733_100000210202 [0,2,0,0,0,0|2,0,0]=4 27079 B13R1.8919 CCSCCc1c(cccc1Cl)Cl 62a_100000210202_100012161200 [0,2,0,0,0,0|2,0,0]=4 27080 B13R1.8919 CCSCCc1c(cccc1Cl)Cl 62a_100012161200_100000210202 [0,2,0,0,0,0|2,0,0]=4 27081 B13R1.8919 COCCCc1c(cccc1Br)F 34a_100021413403_200000210301 [0,2,0,0,0,0|2,0,0]=4 27082 B13R1.8919 COCCCc1c(cccc1Br)F 7a_100021413403_200000210301 [0,2,0,0,0,0|2,0,0]=4 27083 B13R1.8919 Cc1cccc(c1CNCCF)Br 34a_100000724931_100010146847 [0,2,0,0,0,0|2,0,0]=4 27084 B13R1.8919 Cc1cccc(c1CNCCF)C 34a_100000689800_100011217306 [0,2,0,0,0,0|2,0,0]=4 27085 B13R1.8919 Cc1cccc(c1CNCCF)C 34a_100000724931_100000758300 [0,2,0,0,0,0|2,0,0]=4 27086 B13R1.8919 Cc1cccc(c1CNCCF)F 34a_100000724931_100009814554 [0,2,0,0,0,0|2,0,0]=4 27087 B13R1.8919 Cc1cccc(c1CNCCF)F 34a_100000762012_100011217306 [0,2,0,0,0,0|2,0,0]=4 27088 B13R1.8919 Cc1cccc(c1CNCCF)I 34a_100000724931_100010150146 [0,2,0,0,0,0|2,0,0]=4 27089 B13R1.8919 Cc1cccc(c1CNCCO)Br 207a_100000210304_100009881667 [0,2,0,0,0,0|2,0,0]=4 27090 B13R1.8919 Cc1cccc(c1CNCCO)Br 2230a_100016997473_100010146847 [0,2,0,0,0,0|2,0,0]=4 27091 B13R1.8919 Cc1cccc(c1CNCCO)Br 270004a_100000210304_100009881667 [0,2,0,0,0,0|2,0,0]=4 27092 B13R1.8919 Cc1cccc(c1CNCCO)Br 34a_100016990907_100010146847 [0,2,0,0,0,0|2,0,0]=4 27093 B13R1.8919 Cc1cccc(c1CNCCO)C 207a_100000210304_100000758299 [0,2,0,0,0,0|2,0,0]=4 27094 B13R1.8919 Cc1cccc(c1CNCCO)C 2230a_100016997473_100000758300 [0,2,0,0,0,0|2,0,0]=4 27095 B13R1.8919 Cc1cccc(c1CNCCO)C 270004a_100000210304_100000758299 [0,2,0,0,0,0|2,0,0]=4 27096 B13R1.8919 Cc1cccc(c1CNCCO)C 34a_100000689800_100000211926 [0,2,0,0,0,0|2,0,0]=4 27097 B13R1.8919 Cc1cccc(c1CNCCO)C 34a_100016990907_100000758300 [0,2,0,0,0,0|2,0,0]=4 27098 B13R1.8919 Cc1cccc(c1CNCCO)Cl 207a_100000210304_100000041122 [0,2,0,0,0,0|2,0,0]=4 27099 B13R1.8919 Cc1cccc(c1CNCCO)Cl 270004a_100000210304_100000041122 [0,2,0,0,0,0|2,0,0]=4 27100 B13R1.8919 Cc1cccc(c1CNCCO)F 207a_100000210304_100000069827 [0,2,0,0,0,0|2,0,0]=4 27101 B13R1.8919 Cc1cccc(c1CNCCO)F 2230a_100016997473_100009814554 [0,2,0,0,0,0|2,0,0]=4 27102 B13R1.8919 Cc1cccc(c1CNCCO)F 270004a_100000210304_100000069827 [0,2,0,0,0,0|2,0,0]=4 27103 B13R1.8919 Cc1cccc(c1CNCCO)F 34a_100000762012_100000211926 [0,2,0,0,0,0|2,0,0]=4 27104 B13R1.8919 Cc1cccc(c1CNCCO)F 34a_100016990907_100009814554 [0,2,0,0,0,0|2,0,0]=4 27105 B13R1.8919 Cc1cccc(c1CNCCO)I 2230a_100016997473_100010150146 [0,2,0,0,0,0|2,0,0]=4 27106 B13R1.8919 Cc1cccc(c1CNCCO)I 34a_100016990907_100010150146 [0,2,0,0,0,0|2,0,0]=4 27107 B13R1.8919 Cc1cccc(c1COCCBr)Br 34a_100000211926_100010146847 [0,2,0,0,0,0|2,0,0]=4 27108 B13R1.8919 Cc1cccc(c1COCCBr)C 34a_100000211926_100000758300 [0,2,0,0,0,0|2,0,0]=4 27109 B13R1.8919 Cc1cccc(c1COCCBr)F 34a_100000211926_100009814554 [0,2,0,0,0,0|2,0,0]=4 27110 B13R1.8919 Cc1cccc(c1COCCBr)I 34a_100000211926_100010150146 [0,2,0,0,0,0|2,0,0]=4 27111 B13R1.8919 Cc1cccc(c1COCCF)C 34a_100011933981_100011217306 [0,2,0,0,0,0|2,0,0]=4 27112 B13R1.8919 Cc1cccc(c1COCCF)C 7a_100011933981_100011217306 [0,2,0,0,0,0|2,0,0]=4 27113 B13R1.8919 Cc1cccc(c1COCCF)Cl 34a_100000082531_100011217306 [0,2,0,0,0,0|2,0,0]=4 27114 B13R1.8919 Cc1cccc(c1COCCF)Cl 7a_100000082531_100011217306 [0,2,0,0,0,0|2,0,0]=4 27115 B13R1.8919 Cc1cccc(c1COCCF)F 34a_100000057874_100011217306 [0,2,0,0,0,0|2,0,0]=4 27116 B13R1.8919 Cc1cccc(c1COCCF)F 7a_100000057874_100011217306 [0,2,0,0,0,0|2,0,0]=4 27117 B13R1.8919 Cc1cccc(c1COCCN)Br 34a_100000210304_100010146847 [0,2,0,0,0,0|1,0,0]=3 27118 B13R1.8919 Cc1cccc(c1COCCN)C 34a_100000210304_100000758300 [0,2,0,0,0,0|1,0,0]=3 27119 B13R1.8919 Cc1cccc(c1COCCN)F 34a_100000210304_100009814554 [0,2,0,0,0,0|1,0,0]=3 27120 B13R1.8919 Cc1cccc(c1COCCN)I 34a_100000210304_100010150146 [0,2,0,0,0,0|1,0,0]=3 27121 B13R1.8919 Cc1cccc(c1COCCO)C 34a_100011933981_100000211926 [0,2,0,0,0,0|2,0,0]=4 27122 B13R1.8919 Cc1cccc(c1COCCO)C 7a_100011933981_100000211926 [0,2,0,0,0,0|2,0,0]=4 27123 B13R1.8919 Cc1cccc(c1COCCO)Cl 34a_100000082531_100000211926 [0,2,0,0,0,0|2,0,0]=4 27124 B13R1.8919 Cc1cccc(c1COCCO)Cl 7a_100000082531_100000211926 [0,2,0,0,0,0|2,0,0]=4 27125 B13R1.8919 Cc1cccc(c1COCCO)F 34a_100000057874_100000211926 [0,2,0,0,0,0|2,0,0]=4 27126 B13R1.8919 Cc1cccc(c1COCCO)F 7a_100000057874_100000211926 [0,2,0,0,0,0|2,0,0]=4 27127 B13R1.8919 Cc1cccc(c1CSCCF)Br 62a_100010146847_100011217306 [0,2,0,0,0,0|2,0,0]=4 27128 B13R1.8919 Cc1cccc(c1CSCCF)Br 62a_100011217306_100010146847 [0,2,0,0,0,0|2,0,0]=4 27129 B13R1.8919 Cc1cccc(c1CSCCF)C 62a_100000758300_100011217306 [0,2,0,0,0,0|2,0,0]=4 27130 B13R1.8919 Cc1cccc(c1CSCCF)C 62a_100011217306_100000758300 [0,2,0,0,0,0|2,0,0]=4 27131 B13R1.8919 Cc1cccc(c1CSCCF)F 62a_100009814554_100011217306 [0,2,0,0,0,0|2,0,0]=4 27132 B13R1.8919 Cc1cccc(c1CSCCF)F 62a_100011217306_100009814554 [0,2,0,0,0,0|2,0,0]=4 27133 B13R1.8919 Cc1cccc(c1CSCCF)I 62a_100010150146_100011217306 [0,2,0,0,0,0|2,0,0]=4 27134 B13R1.8919 Cc1cccc(c1CSCCF)I 62a_100011217306_100010150146 [0,2,0,0,0,0|2,0,0]=4 27135 B13R1.8919 Cc1cccc(c1CSCCO)Br 62a_100000211926_100010146847 [0,2,0,0,0,0|2,0,0]=4 27136 B13R1.8919 Cc1cccc(c1CSCCO)Br 62a_100010146847_100000211926 [0,2,0,0,0,0|2,0,0]=4 27137 B13R1.8919 Cc1cccc(c1CSCCO)C 62a_100000211926_100000758300 [0,2,0,0,0,0|2,0,0]=4 27138 B13R1.8919 Cc1cccc(c1CSCCO)C 62a_100000758300_100000211926 [0,2,0,0,0,0|2,0,0]=4 27139 B13R1.8919 Cc1cccc(c1CSCCO)F 62a_100000211926_100009814554 [0,2,0,0,0,0|2,0,0]=4 27140 B13R1.8919 Cc1cccc(c1CSCCO)F 62a_100009814554_100000211926 [0,2,0,0,0,0|2,0,0]=4 27141 B13R1.8919 Cc1cccc(c1CSCCO)I 62a_100000211926_100010150146 [0,2,0,0,0,0|2,0,0]=4 27142 B13R1.8919 Cc1cccc(c1CSCCO)I 62a_100010150146_100000211926 [0,2,0,0,0,0|2,0,0]=4 27143 B13R1.8919 Cc1cccc(c1NCCCF)Br 34a_100011834072_100011934791 [0,2,0,0,0,0|2,0,0]=4 27144 B13R1.8919 Cc1cccc(c1NCCCF)C 34a_100000185769_100011934791 [0,2,0,0,0,0|2,0,0]=4 27145 B13R1.8919 Cc1cccc(c1NCCCF)Cl 34a_100000756524_100011934791 [0,2,0,0,0,0|2,0,0]=4 27146 B13R1.8919 Cc1cccc(c1NCCCF)F 34a_100000766463_100011934791 [0,2,0,0,0,0|2,0,0]=4 27147 B13R1.8919 Cc1cccc(c1NCCCF)O 34a_100000743429_100011934791 [0,2,0,0,0,0|2,0,0]=4 27148 B13R1.8919 Cc1cccc(c1NCCCO)Br 34a_100011834072_100000230001 [0,2,0,0,0,0|2,0,0]=4 27149 B13R1.8919 Cc1cccc(c1NCCCO)C 34a_100000185769_100000230001 [0,2,0,0,0,0|2,0,0]=4 27150 B13R1.8919 Cc1cccc(c1NCCCO)Cl 34a_100000756524_100000230001 [0,2,0,0,0,0|2,0,0]=4 27151 B13R1.8919 Cc1cccc(c1NCCCO)F 34a_100000766463_100000230001 [0,2,0,0,0,0|2,0,0]=4 27152 B13R1.8919 Cc1cccc(c1NCCCO)O 34a_100000743429_100000230001 [0,2,0,0,0,0|2,0,0]=4 27153 B13R1.8919 Cc1cccc(c1OCCCF)Br 34a_100009817157_100011934791 [0,2,0,0,0,0|2,0,0]=4 27154 B13R1.8919 Cc1cccc(c1OCCCF)Br 7a_100009817157_100011934791 [0,2,0,0,0,0|2,0,0]=4 27155 B13R1.8919 Cc1cccc(c1OCCCF)C 34a_100000210341_100011934791 [0,2,0,0,0,0|2,0,0]=4 27156 B13R1.8919 Cc1cccc(c1OCCCF)C 7a_100000210341_100011934791 [0,2,0,0,0,0|2,0,0]=4 27157 B13R1.8919 Cc1cccc(c1OCCCF)Cl 34a_100000033731_100011934791 [0,2,0,0,0,0|2,0,0]=4 27158 B13R1.8919 Cc1cccc(c1OCCCF)Cl 7a_100000033731_100011934791 [0,2,0,0,0,0|2,0,0]=4 27159 B13R1.8919 Cc1cccc(c1OCCCF)F 34a_100011659162_100011934791 [0,2,0,0,0,0|2,0,0]=4 27160 B13R1.8919 Cc1cccc(c1OCCCF)F 7a_100011659162_100011934791 [0,2,0,0,0,0|2,0,0]=4 27161 B13R1.8919 Cc1cccc(c1OCCCF)N 34a_100000756359_100011934791 [0,2,0,0,0,0|2,0,0]=4 27162 B13R1.8919 Cc1cccc(c1OCCCF)N 7a_100000756359_100011934791 [0,2,0,0,0,0|2,0,0]=4 27163 B13R1.8919 Cc1cccc(c1OCCCO)Br 34a_100009817157_100000230001 [0,2,0,0,0,0|2,0,0]=4 27164 B13R1.8919 Cc1cccc(c1OCCCO)Br 7a_100009817157_100011215043 [0,2,0,0,0,0|2,0,0]=4 27165 B13R1.8919 Cc1cccc(c1OCCCO)C 34a_100000210341_100000230001 [0,2,0,0,0,0|2,0,0]=4 27166 B13R1.8919 Cc1cccc(c1OCCCO)C 7a_100000210341_100011215043 [0,2,0,0,0,0|2,0,0]=4 27167 B13R1.8919 Cc1cccc(c1OCCCO)Cl 34a_100000033731_100000230001 [0,2,0,0,0,0|2,0,0]=4 27168 B13R1.8919 Cc1cccc(c1OCCCO)Cl 7a_100000033731_100011215043 [0,2,0,0,0,0|2,0,0]=4 27169 B13R1.8919 Cc1cccc(c1OCCCO)F 34a_100011659162_100000230001 [0,2,0,0,0,0|2,0,0]=4 27170 B13R1.8919 Cc1cccc(c1OCCCO)F 7a_100011659162_100011215043 [0,2,0,0,0,0|2,0,0]=4 27171 B13R1.8919 Cc1cccc(c1OCCCO)N 34a_100000756359_100000230001 [0,2,0,0,0,0|2,0,0]=4 27172 B13R1.8919 Cc1cccc(c1OCCCO)N 7a_100000756359_100011215043 [0,2,0,0,0,0|2,0,0]=4 27173 B13R1.8919 Cc1cccc(c1SCCCF)Br 62a_100010141302_100011934791 [0,2,0,0,0,0|2,0,0]=4 27174 B13R1.8919 Cc1cccc(c1SCCCF)Br 62a_100011934791_100010141302 [0,2,0,0,0,0|2,0,0]=4 27175 B13R1.8919 Cc1cccc(c1SCCCF)C 62a_100000033847_100011934791 [0,2,0,0,0,0|2,0,0]=4 27176 B13R1.8919 Cc1cccc(c1SCCCF)C 62a_100011934791_100000033847 [0,2,0,0,0,0|2,0,0]=4 27177 B13R1.8919 Cc1cccc(c1SCCCF)Cl 62a_100000043165_100011934791 [0,2,0,0,0,0|2,0,0]=4 27178 B13R1.8919 Cc1cccc(c1SCCCF)Cl 62a_100011934791_100000043165 [0,2,0,0,0,0|2,0,0]=4 27179 B13R1.8919 Cc1cccc(c1SCCCF)F 62a_100011218421_100011934791 [0,2,0,0,0,0|2,0,0]=4 27180 B13R1.8919 Cc1cccc(c1SCCCF)F 62a_100011934791_100011218421 [0,2,0,0,0,0|2,0,0]=4 27181 B13R1.8919 Cc1cccc(c1SCCCF)N 62a_100000684715_100011934791 [0,2,0,0,0,0|2,0,0]=4 27182 B13R1.8919 Cc1cccc(c1SCCCF)N 62a_100011934791_100000684715 [0,2,0,0,0,0|2,0,0]=4 27183 B13R1.8919 Cc1cccc(c1SCCCF)O 62a_100000686692_100011934791 [0,2,0,0,0,0|2,0,0]=4 27184 B13R1.8919 Cc1cccc(c1SCCCF)O 62a_100011934791_100000686692 [0,2,0,0,0,0|2,0,0]=4 27185 B13R1.8919 Cc1cccc(c1SCCCO)Br 62a_100010141302_100011215043 [0,2,0,0,0,0|2,0,0]=4 27186 B13R1.8919 Cc1cccc(c1SCCCO)Br 62a_100011215043_100010141302 [0,2,0,0,0,0|2,0,0]=4 27187 B13R1.8919 Cc1cccc(c1SCCCO)C 62a_100000033847_100011215043 [0,2,0,0,0,0|2,0,0]=4 27188 B13R1.8919 Cc1cccc(c1SCCCO)C 62a_100011215043_100000033847 [0,2,0,0,0,0|2,0,0]=4 27189 B13R1.8919 Cc1cccc(c1SCCCO)Cl 62a_100000043165_100011215043 [0,2,0,0,0,0|2,0,0]=4 27190 B13R1.8919 Cc1cccc(c1SCCCO)Cl 62a_100011215043_100000043165 [0,2,0,0,0,0|2,0,0]=4 27191 B13R1.8919 Cc1cccc(c1SCCCO)F 62a_100011215043_100011218421 [0,2,0,0,0,0|2,0,0]=4 27192 B13R1.8919 Cc1cccc(c1SCCCO)F 62a_100011218421_100011215043 [0,2,0,0,0,0|2,0,0]=4 27193 B13R1.8919 Cc1cccc(c1SCCCO)N 62a_100000684715_100011215043 [0,2,0,0,0,0|2,0,0]=4 27194 B13R1.8919 Cc1cccc(c1SCCCO)N 62a_100011215043_100000684715 [0,2,0,0,0,0|2,0,0]=4 27195 B13R1.8919 Cc1cccc(c1SCCCO)O 62a_100000686692_100011215043 [0,2,0,0,0,0|2,0,0]=4 27196 B13R1.8919 Cc1cccc(c1SCCCO)O 62a_100011215043_100000686692 [0,2,0,0,0,0|2,0,0]=4 27197 B13R1.8919 Clc1cccc(c1COCCBr)Br 34a_100000211926_100010138402 [0,2,0,0,0,0|2,0,0]=4 27198 B13R1.8919 Clc1cccc(c1COCCBr)Cl 34a_100000211926_100000187851 [0,2,0,0,0,0|2,0,0]=4 27199 B13R1.8919 FCCCNc1c(cccc1Br)Br 34a_100000690995_100011934791 [0,2,0,0,0,0|2,0,0]=4 27200 B13R1.8919 FCCCNc1c(cccc1Br)Cl 34a_100102946385_100011934791 [0,2,0,0,0,0|2,0,0]=4 27201 B13R1.8919 FCCCNc1c(cccc1Br)F 34a_100000684712_100011934791 [0,2,0,0,0,0|2,0,0]=4 27202 B13R1.8919 FCCCNc1c(cccc1Cl)Cl 34a_100000210028_100011934791 [0,2,0,0,0,0|2,0,0]=4 27203 B13R1.8919 FCCCNc1c(cccc1Cl)F 34a_100000760031_100011934791 [0,2,0,0,0,0|2,0,0]=4 27204 B13R1.8919 FCCCNc1c(cccc1F)F 2230a_100000210704_100011934791 [0,2,0,0,0,0|2,0,0]=4 27205 B13R1.8919 FCCCNc1c(cccc1F)F 34a_100000210704_100011934791 [0,2,0,0,0,0|2,0,0]=4 27206 B13R1.8919 FCCCNc1c(cccc1I)F 34a_100000042321_100011934791 [0,2,0,0,0,0|2,0,0]=4 27207 B13R1.8919 FCCCOc1c(cccc1Br)Br 34a_100000736428_100011934791 [0,2,0,0,0,0|2,0,0]=4 27208 B13R1.8919 FCCCOc1c(cccc1Br)Br 7a_100000736428_100011934791 [0,2,0,0,0,0|2,0,0]=4 27209 B13R1.8919 FCCCOc1c(cccc1Br)Cl 34a_100010214474_100011934791 [0,2,0,0,0,0|2,0,0]=4 27210 B13R1.8919 FCCCOc1c(cccc1Br)Cl 7a_100010214474_100011934791 [0,2,0,0,0,0|2,0,0]=4 27211 B13R1.8919 FCCCOc1c(cccc1Br)F 34a_100009813666_100011934791 [0,2,0,0,0,0|2,0,0]=4 27212 B13R1.8919 FCCCOc1c(cccc1Br)F 7a_100009813666_100011934791 [0,2,0,0,0,0|2,0,0]=4 27213 B13R1.8919 FCCCOc1c(cccc1Cl)Cl 34a_100000211709_100011934791 [0,2,0,0,0,0|2,0,0]=4 27214 B13R1.8919 FCCCOc1c(cccc1Cl)Cl 7a_100000211709_100011934791 [0,2,0,0,0,0|2,0,0]=4 27215 B13R1.8919 FCCCOc1c(cccc1Cl)F 34a_100000694953_100011934791 [0,2,0,0,0,0|2,0,0]=4 27216 B13R1.8919 FCCCOc1c(cccc1Cl)F 7a_100000694953_100011934791 [0,2,0,0,0,0|2,0,0]=4 27217 B13R1.8919 FCCCOc1c(cccc1F)F 34a_100000230165_100011934791 [0,2,0,0,0,0|2,0,0]=4 27218 B13R1.8919 FCCCOc1c(cccc1F)F 7a_100000230165_100011934791 [0,2,0,0,0,0|2,0,0]=4 27219 B13R1.8919 FCCCOc1c(cccc1I)Br 34a_100010084509_100011934791 [0,2,0,0,0,0|2,0,0]=4 27220 B13R1.8919 FCCCOc1c(cccc1I)Br 7a_100010084509_100011934791 [0,2,0,0,0,0|2,0,0]=4 27221 B13R1.8919 FCCCOc1c(cccc1I)Cl 34a_100010202889_100011934791 [0,2,0,0,0,0|2,0,0]=4 27222 B13R1.8919 FCCCOc1c(cccc1I)Cl 7a_100010202889_100011934791 [0,2,0,0,0,0|2,0,0]=4 27223 B13R1.8919 FCCCOc1c(cccc1I)F 34a_100010186298_100011934791 [0,2,0,0,0,0|2,0,0]=4 27224 B13R1.8919 FCCCOc1c(cccc1I)F 7a_100010186298_100011934791 [0,2,0,0,0,0|2,0,0]=4 27225 B13R1.8919 FCCCSc1c(cccc1Br)Br 62a_100009994525_100011934791 [0,2,0,0,0,0|2,0,0]=4 27226 B13R1.8919 FCCCSc1c(cccc1Br)Br 62a_100011934791_100009994525 [0,2,0,0,0,0|2,0,0]=4 27227 B13R1.8919 FCCCSc1c(cccc1Br)Cl 62a_100010214488_100011934791 [0,2,0,0,0,0|2,0,0]=4 27228 B13R1.8919 FCCCSc1c(cccc1Br)Cl 62a_100011934791_100010214488 [0,2,0,0,0,0|2,0,0]=4 27229 B13R1.8919 FCCCSc1c(cccc1Br)F 62a_100011219512_100011934791 [0,2,0,0,0,0|2,0,0]=4 27230 B13R1.8919 FCCCSc1c(cccc1Br)F 62a_100011934791_100011219512 [0,2,0,0,0,0|2,0,0]=4 27231 B13R1.8919 FCCCSc1c(cccc1Cl)Cl 62a_100000034237_100011934791 [0,2,0,0,0,0|2,0,0]=4 27232 B13R1.8919 FCCCSc1c(cccc1Cl)Cl 62a_100011934791_100000034237 [0,2,0,0,0,0|2,0,0]=4 27233 B13R1.8919 FCCCSc1c(cccc1Cl)F 62a_100000050007_100011934791 [0,2,0,0,0,0|2,0,0]=4 27234 B13R1.8919 FCCCSc1c(cccc1Cl)F 62a_100011934791_100000050007 [0,2,0,0,0,0|2,0,0]=4 27235 B13R1.8919 FCCCSc1c(cccc1F)F 62a_100000693133_100011934791 [0,2,0,0,0,0|2,0,0]=4 27236 B13R1.8919 FCCCSc1c(cccc1F)F 62a_100011934791_100000693133 [0,2,0,0,0,0|2,0,0]=4 27237 B13R1.8919 FCCNCc1c(cccc1Br)Cl 34a_100000724931_100010138402 [0,2,0,0,0,0|2,0,0]=4 27238 B13R1.8919 FCCNCc1c(cccc1Br)F 34a_100000724931_100012145669 [0,2,0,0,0,0|2,0,0]=4 27239 B13R1.8919 FCCNCc1c(cccc1Br)F 34a_100012349121_100011217306 [0,2,0,0,0,0|2,0,0]=4 27240 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100011217306 [0,2,0,0,0,0|2,0,0]=4 27241 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 34a_100000174884_100011217306 [0,2,0,0,0,0|2,0,0]=4 27242 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 34a_100000724931_100000187851 [0,2,0,0,0,0|2,0,0]=4 27243 B13R1.8919 FCCNCc1c(cccc1Cl)F 34a_100000174883_100011217306 [0,2,0,0,0,0|2,0,0]=4 27244 B13R1.8919 FCCNCc1c(cccc1Cl)F 34a_100000724931_100000187852 [0,2,0,0,0,0|2,0,0]=4 27245 B13R1.8919 FCCNCc1c(cccc1F)F 34a_100000688400_100011217306 [0,2,0,0,0,0|2,0,0]=4 27246 B13R1.8919 FCCNCc1c(cccc1F)F 34a_100000724931_100000698325 [0,2,0,0,0,0|2,0,0]=4 27247 B13R1.8919 FCCNCc1c(cccc1I)Br 34a_100000724931_100010146611 [0,2,0,0,0,0|2,0,0]=4 27248 B13R1.8919 FCCNCc1c(cccc1I)F 34a_100000724931_100010149602 [0,2,0,0,0,0|2,0,0]=4 27249 B13R1.8919 FCCOCc1c(cccc1Br)Br 34a_100010172814_100011217306 [0,2,0,0,0,0|2,0,0]=4 27250 B13R1.8919 FCCOCc1c(cccc1Br)Br 7a_100010172814_100011217306 [0,2,0,0,0,0|2,0,0]=4 27251 B13R1.8919 FCCOCc1c(cccc1Br)F 34a_100012355691_100011217306 [0,2,0,0,0,0|2,0,0]=4 27252 B13R1.8919 FCCOCc1c(cccc1Br)F 7a_100012355691_100011217306 [0,2,0,0,0,0|2,0,0]=4 27253 B13R1.8919 FCCOCc1c(cccc1Cl)Cl 34a_100000215722_100011217306 [0,2,0,0,0,0|2,0,0]=4 27254 B13R1.8919 FCCOCc1c(cccc1Cl)Cl 7a_100000215722_100011217306 [0,2,0,0,0,0|2,0,0]=4 27255 B13R1.8919 FCCOCc1c(cccc1Cl)F 34a_100000215723_100011217306 [0,2,0,0,0,0|2,0,0]=4 27256 B13R1.8919 FCCOCc1c(cccc1Cl)F 7a_100000215723_100011217306 [0,2,0,0,0,0|2,0,0]=4 27257 B13R1.8919 FCCOCc1c(cccc1F)F 34a_100000698215_100011217306 [0,2,0,0,0,0|2,0,0]=4 27258 B13R1.8919 FCCOCc1c(cccc1F)F 7a_100000698215_100011217306 [0,2,0,0,0,0|2,0,0]=4 27259 B13R1.8919 FCCOCc1c(cccc1I)F 34a_100010214973_100011217306 [0,2,0,0,0,0|2,0,0]=4 27260 B13R1.8919 FCCOCc1c(cccc1I)F 7a_100010214973_100011217306 [0,2,0,0,0,0|2,0,0]=4 27261 B13R1.8919 FCCSCc1c(cccc1Br)Cl 62a_100010138402_100011217306 [0,2,0,0,0,0|2,0,0]=4 27262 B13R1.8919 FCCSCc1c(cccc1Br)Cl 62a_100011217306_100010138402 [0,2,0,0,0,0|2,0,0]=4 27263 B13R1.8919 FCCSCc1c(cccc1Br)F 62a_100011217306_100012145669 [0,2,0,0,0,0|2,0,0]=4 27264 B13R1.8919 FCCSCc1c(cccc1Br)F 62a_100012145669_100011217306 [0,2,0,0,0,0|2,0,0]=4 27265 B13R1.8919 FCCSCc1c(cccc1Cl)Cl 62a_100000187851_100011217306 [0,2,0,0,0,0|2,0,0]=4 27266 B13R1.8919 FCCSCc1c(cccc1Cl)Cl 62a_100011217306_100000187851 [0,2,0,0,0,0|2,0,0]=4 27267 B13R1.8919 FCCSCc1c(cccc1Cl)F 62a_100000187852_100011217306 [0,2,0,0,0,0|2,0,0]=4 27268 B13R1.8919 FCCSCc1c(cccc1Cl)F 62a_100011217306_100000187852 [0,2,0,0,0,0|2,0,0]=4 27269 B13R1.8919 FCCSCc1c(cccc1F)F 62a_100000709179_100011217306 [0,2,0,0,0,0|2,0,0]=4 27270 B13R1.8919 FCCSCc1c(cccc1F)F 62a_100011217306_100000698325 [0,2,0,0,0,0|2,0,0]=4 27271 B13R1.8919 FCCSCc1c(cccc1I)Br 62a_100010146611_100011217306 [0,2,0,0,0,0|2,0,0]=4 27272 B13R1.8919 FCCSCc1c(cccc1I)Br 62a_100011217306_100010146611 [0,2,0,0,0,0|2,0,0]=4 27273 B13R1.8919 FCCSCc1c(cccc1I)F 62a_100010149602_100011217306 [0,2,0,0,0,0|2,0,0]=4 27274 B13R1.8919 FCCSCc1c(cccc1I)F 62a_100011217306_100010149602 [0,2,0,0,0,0|2,0,0]=4 27275 B13R1.8919 FCNCCc1c(cccc1Cl)Cl 34a_100032004868_100015361967 [0,2,0,0,0,0|2,0,0]=4 27276 B13R1.8919 FCNCCc1c(cccc1Cl)F 34a_100000688150_100015361967 [0,2,0,0,0,0|2,0,0]=4 27277 B13R1.8919 FCOCCc1c(cccc1Cl)Cl 34a_100011934077_100015361967 [0,2,0,0,0,0|2,0,0]=4 27278 B13R1.8919 FCOCCc1c(cccc1Cl)Cl 7a_100011934077_100015361967 [0,2,0,0,0,0|2,0,0]=4 27279 B13R1.8919 FCOCCc1c(cccc1Cl)F 34a_100011273940_100015361967 [0,2,0,0,0,0|2,0,0]=4 27280 B13R1.8919 FCOCCc1c(cccc1Cl)F 7a_100011273940_100015361967 [0,2,0,0,0,0|2,0,0]=4 27281 B13R1.8919 FCOCCc1c(cccc1F)F 34a_100011975733_100015361967 [0,2,0,0,0,0|2,0,0]=4 27282 B13R1.8919 FCOCCc1c(cccc1F)F 7a_100011975733_100015361967 [0,2,0,0,0,0|2,0,0]=4 27283 B13R1.8919 FCSCCc1c(cccc1Cl)Cl 62a_100012161200_100015361967 [0,2,0,0,0,0|2,0,0]=4 27284 B13R1.8919 FCSCCc1c(cccc1Cl)Cl 62a_100015361967_100012161200 [0,2,0,0,0,0|2,0,0]=4 27285 B13R1.8919 Fc1cccc(c1COCCBr)Br 34a_100000211926_100012145669 [0,2,0,0,0,0|2,0,0]=4 27286 B13R1.8919 Fc1cccc(c1COCCBr)Cl 34a_100000211926_100000187852 [0,2,0,0,0,0|2,0,0]=4 27287 B13R1.8919 Fc1cccc(c1COCCBr)F 34a_100000211926_100000698325 [0,2,0,0,0,0|2,0,0]=4 27288 B13R1.8919 Fc1cccc(c1COCCBr)I 34a_100000211926_100010149602 [0,2,0,0,0,0|2,0,0]=4 27289 B13R1.8919 NCCOCc1c(cccc1Br)Cl 34a_100000210304_100010138402 [0,2,0,0,0,0|1,0,0]=3 27290 B13R1.8919 NCCOCc1c(cccc1Br)F 34a_100000210304_100012145669 [0,2,0,0,0,0|1,0,0]=3 27291 B13R1.8919 NCCOCc1c(cccc1Cl)Cl 34a_100000210304_100000187851 [0,2,0,0,0,0|1,0,0]=3 27292 B13R1.8919 NCCOCc1c(cccc1Cl)F 34a_100000210304_100000187852 [0,2,0,0,0,0|1,0,0]=3 27293 B13R1.8919 NCCOCc1c(cccc1F)F 34a_100000210304_100000698325 [0,2,0,0,0,0|1,0,0]=3 27294 B13R1.8919 NCCOCc1c(cccc1I)Br 34a_100000210304_100010146611 [0,2,0,0,0,0|1,0,0]=3 27295 B13R1.8919 NCCOCc1c(cccc1I)F 34a_100000210304_100010149602 [0,2,0,0,0,0|1,0,0]=3 27296 B13R1.8919 NCCOCc1c(cncc1Cl)Cl 34a_100000210304_200009872113 [0,2,0,0,0,0|2,0,0]=4 27297 B13R1.8919 Nc1cccc(c1COCCF)Br 34a_100000747656_100011217306 [0,2,0,0,0,0|2,0,0]=4 27298 B13R1.8919 Nc1cccc(c1COCCF)Cl 34a_100011916388_100011217306 [0,2,0,0,0,0|2,0,0]=4 27299 B13R1.8919 Nc1cccc(c1COCCF)F 34a_100011846719_100011217306 [0,2,0,0,0,0|2,0,0]=4 27300 B13R1.8919 Nc1cccc(c1COCCO)Br 34a_100000747656_100000211926 [0,2,0,0,0,0|2,0,0]=4 27301 B13R1.8919 Nc1cccc(c1COCCO)Cl 34a_100011916388_100000211926 [0,2,0,0,0,0|2,0,0]=4 27302 B13R1.8919 Nc1cccc(c1COCCO)F 34a_100011846719_100000211926 [0,2,0,0,0,0|2,0,0]=4 27303 B13R1.8919 Nc1cccc(c1OCCCF)Br 34a_100011934915_100011934791 [0,2,0,0,0,0|2,0,0]=4 27304 B13R1.8919 Nc1cccc(c1OCCCF)Cl 34a_100000754742_100011934791 [0,2,0,0,0,0|2,0,0]=4 27305 B13R1.8919 Nc1cccc(c1OCCCF)F 34a_100011934987_100011934791 [0,2,0,0,0,0|2,0,0]=4 27306 B13R1.8919 Nc1cccc(c1OCCCF)I 34a_100010084371_100011934791 [0,2,0,0,0,0|2,0,0]=4 27307 B13R1.8919 Nc1cccc(c1OCCCF)N 34a_200016994477_100011934791 [0,2,0,0,0,0|2,0,0]=4 27308 B13R1.8919 Nc1cccc(c1OCCCO)Br 34a_100011934915_100000230001 [0,2,0,0,0,0|2,0,0]=4 27309 B13R1.8919 Nc1cccc(c1OCCCO)Cl 34a_100000754742_100000230001 [0,2,0,0,0,0|2,0,0]=4 27310 B13R1.8919 Nc1cccc(c1OCCCO)F 34a_100011934987_100000230001 [0,2,0,0,0,0|2,0,0]=4 27311 B13R1.8919 Nc1cccc(c1OCCCO)I 34a_100010084371_100000230001 [0,2,0,0,0,0|2,0,0]=4 27312 B13R1.8919 Nc1cccc(c1OCCCO)N 34a_200016994477_100000230001 [0,2,0,0,0,0|2,0,0]=4 27313 B13R1.8919 Nc1cccc(c1SCCCF)Br 62a_100011934791_100020590159 [0,2,0,0,0,0|2,0,0]=4 27314 B13R1.8919 Nc1cccc(c1SCCCF)Br 62a_100020590159_100011934791 [0,2,0,0,0,0|2,0,0]=4 27315 B13R1.8919 Nc1cccc(c1SCCCF)Cl 62a_100000049713_100011934791 [0,2,0,0,0,0|2,0,0]=4 27316 B13R1.8919 Nc1cccc(c1SCCCF)Cl 62a_100011934791_100000049713 [0,2,0,0,0,0|2,0,0]=4 27317 B13R1.8919 Nc1cccc(c1SCCCF)F 62a_100000690935_100011934791 [0,2,0,0,0,0|2,0,0]=4 27318 B13R1.8919 Nc1cccc(c1SCCCF)F 62a_100011934791_100000690935 [0,2,0,0,0,0|2,0,0]=4 27319 B13R1.8919 Nc1cccc(c1SCCCF)O 62a_100011934791_100012183704 [0,2,0,0,0,0|2,0,0]=4 27320 B13R1.8919 Nc1cccc(c1SCCCF)O 62a_100012183704_100011934791 [0,2,0,0,0,0|2,0,0]=4 27321 B13R1.8919 Nc1cccc(c1SCCCO)Br 62a_100011215043_100020590159 [0,2,0,0,0,0|2,0,0]=4 27322 B13R1.8919 Nc1cccc(c1SCCCO)Br 62a_100020590159_100011215043 [0,2,0,0,0,0|2,0,0]=4 27323 B13R1.8919 Nc1cccc(c1SCCCO)Cl 62a_100000049713_100011215043 [0,2,0,0,0,0|2,0,0]=4 27324 B13R1.8919 Nc1cccc(c1SCCCO)Cl 62a_100011215043_100000049713 [0,2,0,0,0,0|2,0,0]=4 27325 B13R1.8919 Nc1cccc(c1SCCCO)F 62a_100000690935_100011215043 [0,2,0,0,0,0|2,0,0]=4 27326 B13R1.8919 Nc1cccc(c1SCCCO)F 62a_100011215043_100000690935 [0,2,0,0,0,0|2,0,0]=4 27327 B13R1.8919 Nc1cccc(c1SCCCO)O 62a_100011215043_100012183704 [0,2,0,0,0,0|2,0,0]=4 27328 B13R1.8919 Nc1cccc(c1SCCCO)O 62a_100012183704_100011215043 [0,2,0,0,0,0|2,0,0]=4 27329 B13R1.8919 OCCCNc1c(cccc1Br)Br 34a_100000690995_100000230001 [0,2,0,0,0,0|2,0,0]=4 27330 B13R1.8919 OCCCNc1c(cccc1Br)Cl 34a_100102946385_100000230001 [0,2,0,0,0,0|2,0,0]=4 27331 B13R1.8919 OCCCNc1c(cccc1Br)F 34a_100000684712_100000230001 [0,2,0,0,0,0|2,0,0]=4 27332 B13R1.8919 OCCCNc1c(cccc1Br)O 34a_100011934926_100000230001 [0,2,0,0,0,0|2,0,0]=4 27333 B13R1.8919 OCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000230001 [0,2,0,0,0,0|2,0,0]=4 27334 B13R1.8919 OCCCNc1c(cccc1Cl)F 34a_100000760031_100000230001 [0,2,0,0,0,0|2,0,0]=4 27335 B13R1.8919 OCCCNc1c(cccc1Cl)O 34a_100012022510_100000230001 [0,2,0,0,0,0|2,0,0]=4 27336 B13R1.8919 OCCCNc1c(cccc1F)F 2230a_100000210704_100000230001 [0,2,0,0,0,0|2,0,0]=4 27337 B13R1.8919 OCCCNc1c(cccc1F)F 34a_100000210704_100000230001 [0,2,0,0,0,0|2,0,0]=4 27338 B13R1.8919 OCCCNc1c(cccc1F)O 34a_100020591140_100000230001 [0,2,0,0,0,0|2,0,0]=4 27339 B13R1.8919 OCCCNc1c(cccc1I)F 34a_100000042321_100000230001 [0,2,0,0,0,0|2,0,0]=4 27340 B13R1.8919 OCCCOc1c(cccc1Br)Br 34a_100000736428_100000230001 [0,2,0,0,0,0|2,0,0]=4 27341 B13R1.8919 OCCCOc1c(cccc1Br)Br 7a_100000736428_100011215043 [0,2,0,0,0,0|2,0,0]=4 27342 B13R1.8919 OCCCOc1c(cccc1Br)Cl 34a_100010214474_100000230001 [0,2,0,0,0,0|2,0,0]=4 27343 B13R1.8919 OCCCOc1c(cccc1Br)Cl 7a_100010214474_100011215043 [0,2,0,0,0,0|2,0,0]=4 27344 B13R1.8919 OCCCOc1c(cccc1Br)F 34a_100009813666_100000230001 [0,2,0,0,0,0|2,0,0]=4 27345 B13R1.8919 OCCCOc1c(cccc1Br)F 7a_100009813666_100011215043 [0,2,0,0,0,0|2,0,0]=4 27346 B13R1.8919 OCCCOc1c(cccc1Cl)Cl 34a_100000211709_100000230001 [0,2,0,0,0,0|2,0,0]=4 27347 B13R1.8919 OCCCOc1c(cccc1Cl)Cl 7a_100000211709_100011215043 [0,2,0,0,0,0|2,0,0]=4 27348 B13R1.8919 OCCCOc1c(cccc1Cl)F 34a_100000694953_100000230001 [0,2,0,0,0,0|2,0,0]=4 27349 B13R1.8919 OCCCOc1c(cccc1Cl)F 7a_100000694953_100011215043 [0,2,0,0,0,0|2,0,0]=4 27350 B13R1.8919 OCCCOc1c(cccc1F)F 34a_100000230165_100000230001 [0,2,0,0,0,0|2,0,0]=4 27351 B13R1.8919 OCCCOc1c(cccc1F)F 7a_100000230165_100011215043 [0,2,0,0,0,0|2,0,0]=4 27352 B13R1.8919 OCCCOc1c(cccc1I)Br 34a_100010084509_100000230001 [0,2,0,0,0,0|2,0,0]=4 27353 B13R1.8919 OCCCOc1c(cccc1I)Br 7a_100010084509_100011215043 [0,2,0,0,0,0|2,0,0]=4 27354 B13R1.8919 OCCCOc1c(cccc1I)Cl 34a_100010202889_100000230001 [0,2,0,0,0,0|2,0,0]=4 27355 B13R1.8919 OCCCOc1c(cccc1I)Cl 7a_100010202889_100011215043 [0,2,0,0,0,0|2,0,0]=4 27356 B13R1.8919 OCCCOc1c(cccc1I)F 34a_100010186298_100000230001 [0,2,0,0,0,0|2,0,0]=4 27357 B13R1.8919 OCCCOc1c(cccc1I)F 7a_100010186298_100011215043 [0,2,0,0,0,0|2,0,0]=4 27358 B13R1.8919 OCCCSc1c(cccc1Br)Br 62a_100009994525_100011215043 [0,2,0,0,0,0|2,0,0]=4 27359 B13R1.8919 OCCCSc1c(cccc1Br)Br 62a_100011215043_100009994525 [0,2,0,0,0,0|2,0,0]=4 27360 B13R1.8919 OCCCSc1c(cccc1Br)Cl 62a_100010214488_100011215043 [0,2,0,0,0,0|2,0,0]=4 27361 B13R1.8919 OCCCSc1c(cccc1Br)Cl 62a_100011215043_100010214488 [0,2,0,0,0,0|2,0,0]=4 27362 B13R1.8919 OCCCSc1c(cccc1Br)F 62a_100011215043_100011219512 [0,2,0,0,0,0|2,0,0]=4 27363 B13R1.8919 OCCCSc1c(cccc1Br)F 62a_100011219512_100011215043 [0,2,0,0,0,0|2,0,0]=4 27364 B13R1.8919 OCCCSc1c(cccc1Br)O 62a_100010187912_100011215043 [0,2,0,0,0,0|2,0,0]=4 27365 B13R1.8919 OCCCSc1c(cccc1Br)O 62a_100011215043_100010187912 [0,2,0,0,0,0|2,0,0]=4 27366 B13R1.8919 OCCCSc1c(cccc1Cl)Cl 62a_100000034237_100011215043 [0,2,0,0,0,0|2,0,0]=4 27367 B13R1.8919 OCCCSc1c(cccc1Cl)Cl 62a_100011215043_100000034237 [0,2,0,0,0,0|2,0,0]=4 27368 B13R1.8919 OCCCSc1c(cccc1Cl)F 62a_100000050007_100011215043 [0,2,0,0,0,0|2,0,0]=4 27369 B13R1.8919 OCCCSc1c(cccc1Cl)F 62a_100011215043_100000050007 [0,2,0,0,0,0|2,0,0]=4 27370 B13R1.8919 OCCCSc1c(cccc1Cl)O 62a_100011215043_100000050174 [0,2,0,0,0,0|2,0,0]=4 27371 B13R1.8919 OCCCSc1c(cccc1F)F 62a_100000693133_100011215043 [0,2,0,0,0,0|2,0,0]=4 27372 B13R1.8919 OCCCSc1c(cccc1F)F 62a_100011215043_100000693133 [0,2,0,0,0,0|2,0,0]=4 27373 B13R1.8919 OCCCSc1c(cccc1F)O 62a_100009820682_100011215043 [0,2,0,0,0,0|2,0,0]=4 27374 B13R1.8919 OCCCSc1c(cccc1F)O 62a_100011215043_100009820682 [0,2,0,0,0,0|2,0,0]=4 27375 B13R1.8919 OCCCSc1c(cccc1O)O 62a_100011215043_100010205330 [0,2,0,0,0,0|2,0,0]=4 27376 B13R1.8919 OCCNCc1c(cccc1Br)Br 207a_100000210304_100010233043 [0,2,0,0,0,0|2,0,0]=4 27377 B13R1.8919 OCCNCc1c(cccc1Br)Br 270004a_100000210304_100010233043 [0,2,0,0,0,0|2,0,0]=4 27378 B13R1.8919 OCCNCc1c(cccc1Br)Cl 207a_100000210304_100011249081 [0,2,0,0,0,0|2,0,0]=4 27379 B13R1.8919 OCCNCc1c(cccc1Br)Cl 2230a_100016997473_100010138402 [0,2,0,0,0,0|2,0,0]=4 27380 B13R1.8919 OCCNCc1c(cccc1Br)Cl 270004a_100000210304_100011249081 [0,2,0,0,0,0|2,0,0]=4 27381 B13R1.8919 OCCNCc1c(cccc1Br)Cl 34a_100016990907_100010138402 [0,2,0,0,0,0|2,0,0]=4 27382 B13R1.8919 OCCNCc1c(cccc1Br)F 207a_100000210304_100000752695 [0,2,0,0,0,0|2,0,0]=4 27383 B13R1.8919 OCCNCc1c(cccc1Br)F 2230a_100016997473_100012145669 [0,2,0,0,0,0|2,0,0]=4 27384 B13R1.8919 OCCNCc1c(cccc1Br)F 270004a_100000210304_100000752695 [0,2,0,0,0,0|2,0,0]=4 27385 B13R1.8919 OCCNCc1c(cccc1Br)F 34a_100012349121_100000211926 [0,2,0,0,0,0|2,0,0]=4 27386 B13R1.8919 OCCNCc1c(cccc1Br)F 34a_100016990907_100012145669 [0,2,0,0,0,0|2,0,0]=4 27387 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 207a_100000210304_100000189306 [0,2,0,0,0,0|2,0,0]=4 27388 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000211926 [0,2,0,0,0,0|2,0,0]=4 27389 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 2230a_100016997473_100000187851 [0,2,0,0,0,0|2,0,0]=4 27390 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 270004a_100000210304_100000189306 [0,2,0,0,0,0|2,0,0]=4 27391 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000211926 [0,2,0,0,0,0|2,0,0]=4 27392 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 34a_100016990907_100000187851 [0,2,0,0,0,0|2,0,0]=4 27393 B13R1.8919 OCCNCc1c(cccc1Cl)F 207a_100000210304_100000210083 [0,2,0,0,0,0|2,0,0]=4 27394 B13R1.8919 OCCNCc1c(cccc1Cl)F 2230a_100016997473_100000187852 [0,2,0,0,0,0|2,0,0]=4 27395 B13R1.8919 OCCNCc1c(cccc1Cl)F 270004a_100000210304_100000210083 [0,2,0,0,0,0|2,0,0]=4 27396 B13R1.8919 OCCNCc1c(cccc1Cl)F 34a_100000174883_100000211926 [0,2,0,0,0,0|2,0,0]=4 27397 B13R1.8919 OCCNCc1c(cccc1Cl)F 34a_100016990907_100000187852 [0,2,0,0,0,0|2,0,0]=4 27398 B13R1.8919 OCCNCc1c(cccc1F)F 207a_100000210304_100000211061 [0,2,0,0,0,0|2,0,0]=4 27399 B13R1.8919 OCCNCc1c(cccc1F)F 2230a_100016997473_100000698325 [0,2,0,0,0,0|2,0,0]=4 27400 B13R1.8919 OCCNCc1c(cccc1F)F 270004a_100000210304_100000211061 [0,2,0,0,0,0|2,0,0]=4 27401 B13R1.8919 OCCNCc1c(cccc1F)F 34a_100000688400_100000211926 [0,2,0,0,0,0|2,0,0]=4 27402 B13R1.8919 OCCNCc1c(cccc1F)F 34a_100016990907_100000698325 [0,2,0,0,0,0|2,0,0]=4 27403 B13R1.8919 OCCNCc1c(cccc1I)Br 2230a_100016997473_100010146611 [0,2,0,0,0,0|2,0,0]=4 27404 B13R1.8919 OCCNCc1c(cccc1I)Br 34a_100016990907_100010146611 [0,2,0,0,0,0|2,0,0]=4 27405 B13R1.8919 OCCNCc1c(cccc1I)Cl 207a_100000210304_100010147682 [0,2,0,0,0,0|2,0,0]=4 27406 B13R1.8919 OCCNCc1c(cccc1I)Cl 270004a_100000210304_100010147682 [0,2,0,0,0,0|2,0,0]=4 27407 B13R1.8919 OCCNCc1c(cccc1I)F 207a_100000210304_100010178011 [0,2,0,0,0,0|2,0,0]=4 27408 B13R1.8919 OCCNCc1c(cccc1I)F 2230a_100016997473_100010149602 [0,2,0,0,0,0|2,0,0]=4 27409 B13R1.8919 OCCNCc1c(cccc1I)F 270004a_100000210304_100010178011 [0,2,0,0,0,0|2,0,0]=4 27410 B13R1.8919 OCCNCc1c(cccc1I)F 34a_100016990907_100010149602 [0,2,0,0,0,0|2,0,0]=4 27411 B13R1.8919 OCCOCc1c(cccc1Br)Br 34a_100010172814_100000211926 [0,2,0,0,0,0|2,0,0]=4 27412 B13R1.8919 OCCOCc1c(cccc1Br)Br 7a_100010172814_100000211926 [0,2,0,0,0,0|2,0,0]=4 27413 B13R1.8919 OCCOCc1c(cccc1Br)F 34a_100012355691_100000211926 [0,2,0,0,0,0|2,0,0]=4 27414 B13R1.8919 OCCOCc1c(cccc1Br)F 7a_100012355691_100000211926 [0,2,0,0,0,0|2,0,0]=4 27415 B13R1.8919 OCCOCc1c(cccc1Cl)Cl 34a_100000215722_100000211926 [0,2,0,0,0,0|2,0,0]=4 27416 B13R1.8919 OCCOCc1c(cccc1Cl)Cl 7a_100000215722_100000211926 [0,2,0,0,0,0|2,0,0]=4 27417 B13R1.8919 OCCOCc1c(cccc1Cl)F 34a_100000215723_100000211926 [0,2,0,0,0,0|2,0,0]=4 27418 B13R1.8919 OCCOCc1c(cccc1Cl)F 7a_100000215723_100000211926 [0,2,0,0,0,0|2,0,0]=4 27419 B13R1.8919 OCCOCc1c(cccc1F)F 34a_100000698215_100000211926 [0,2,0,0,0,0|2,0,0]=4 27420 B13R1.8919 OCCOCc1c(cccc1F)F 7a_100000698215_100000211926 [0,2,0,0,0,0|2,0,0]=4 27421 B13R1.8919 OCCOCc1c(cccc1I)F 34a_100010214973_100000211926 [0,2,0,0,0,0|2,0,0]=4 27422 B13R1.8919 OCCOCc1c(cccc1I)F 7a_100010214973_100000211926 [0,2,0,0,0,0|2,0,0]=4 27423 B13R1.8919 OCCSCc1c(cccc1Br)Cl 62a_100000211926_100010138402 [0,2,0,0,0,0|2,0,0]=4 27424 B13R1.8919 OCCSCc1c(cccc1Br)Cl 62a_100010138402_100000211926 [0,2,0,0,0,0|2,0,0]=4 27425 B13R1.8919 OCCSCc1c(cccc1Br)F 62a_100000211926_100012145669 [0,2,0,0,0,0|2,0,0]=4 27426 B13R1.8919 OCCSCc1c(cccc1Br)F 62a_100012145669_100000211926 [0,2,0,0,0,0|2,0,0]=4 27427 B13R1.8919 OCCSCc1c(cccc1Cl)Cl 62a_100000187851_100000211926 [0,2,0,0,0,0|2,0,0]=4 27428 B13R1.8919 OCCSCc1c(cccc1Cl)Cl 62a_100000211926_100000187851 [0,2,0,0,0,0|2,0,0]=4 27429 B13R1.8919 OCCSCc1c(cccc1Cl)F 62a_100000187852_100000211926 [0,2,0,0,0,0|2,0,0]=4 27430 B13R1.8919 OCCSCc1c(cccc1Cl)F 62a_100000211926_100000187852 [0,2,0,0,0,0|2,0,0]=4 27431 B13R1.8919 OCCSCc1c(cccc1F)F 62a_100000211926_100000698325 [0,2,0,0,0,0|2,0,0]=4 27432 B13R1.8919 OCCSCc1c(cccc1F)F 62a_100000709179_100000211926 [0,2,0,0,0,0|2,0,0]=4 27433 B13R1.8919 OCCSCc1c(cccc1I)Br 62a_100000211926_100010146611 [0,2,0,0,0,0|2,0,0]=4 27434 B13R1.8919 OCCSCc1c(cccc1I)Br 62a_100010146611_100000211926 [0,2,0,0,0,0|2,0,0]=4 27435 B13R1.8919 OCCSCc1c(cccc1I)F 62a_100000211926_100010149602 [0,2,0,0,0,0|2,0,0]=4 27436 B13R1.8919 OCCSCc1c(cccc1I)F 62a_100010149602_100000211926 [0,2,0,0,0,0|2,0,0]=4 27437 B13R1.8919 Oc1cccc(c1NCCCF)Br 34a_100011934926_100011934791 [0,2,0,0,0,0|2,0,0]=4 27438 B13R1.8919 Oc1cccc(c1NCCCF)Cl 34a_100012022510_100011934791 [0,2,0,0,0,0|2,0,0]=4 27439 B13R1.8919 Oc1cccc(c1NCCCF)F 34a_100020591140_100011934791 [0,2,0,0,0,0|2,0,0]=4 27440 B13R1.8919 Oc1cccc(c1SCCCF)Br 62a_100010187912_100011934791 [0,2,0,0,0,0|2,0,0]=4 27441 B13R1.8919 Oc1cccc(c1SCCCF)Br 62a_100011934791_100010187912 [0,2,0,0,0,0|2,0,0]=4 27442 B13R1.8919 Oc1cccc(c1SCCCF)Cl 62a_100011934791_100000050174 [0,2,0,0,0,0|2,0,0]=4 27443 B13R1.8919 Oc1cccc(c1SCCCF)F 62a_100009820682_100011934791 [0,2,0,0,0,0|2,0,0]=4 27444 B13R1.8919 Oc1cccc(c1SCCCF)F 62a_100011934791_100009820682 [0,2,0,0,0,0|2,0,0]=4 27445 B13R1.8919 Oc1cccc(c1SCCCF)O 62a_100011934791_100010205330 [0,2,0,0,0,0|2,0,0]=4 27446 B13R1.8919 [13CH3]OCCCc1c(cccc1Br)F 34a_100021413403_200025704644 [0,2,0,0,0,0|2,0,0]=4 27447 B13R1.8919 [13CH3]OCCCc1c(cccc1Br)F 7a_100021413403_200025704644 [0,2,0,0,0,0|2,0,0]=4 27448 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [0,0,1,1,0,0|0,0,2]=4 27449 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [0,0,1,1,0,0|0,0,2]=4 27450 B11R1.284 C=CC=CC(=O)CC1CCC1 1458a_100016291481_100000763275 [0,0,1,1,0,0|2,0,0]=4 27451 B11R1.284 C=CC=CC(=O)CC1CCO1 1458a_100016291481_100000103362 [0,0,1,1,0,0|2,0,0]=4 27452 B11R1.285 C=CC=CC(=O)CCC1CC1 1458a_100016291481_100000694398 [0,0,1,1,0,0|2,0,0]=4 27453 B11R1.285 C=CC=CC(=O)CCC1CO1 1458a_100016291481_100000732470 [0,0,1,1,0,0|2,0,0]=4 27454 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [1,0,0,1,0,0|2,0,0]=4 27455 B11R2.238 c1cc(ccn1)SC2CC2 62a_100000728582_100000211595 [1,0,0,1,0,0|2,0,0]=4 27456 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|1,0,0]=3 27457 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|1,0,0]=3 27458 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|1,0,0]=3 27459 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [1,0,0,1,0,0|2,0,0]=4 27460 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [1,0,0,1,0,0|2,0,0]=4 27461 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [1,0,0,1,0,0|2,0,0]=4 27462 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|1,0,0]=3 27463 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|1,0,0]=3 27464 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|1,0,0]=3 27465 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|1,0,0]=3 27466 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|1,0,0]=3 27467 B13R2.12 Brc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000752885 [0,1,0,1,0,0|1,0,1]=4 27468 B13R2.12 Cc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000186775 [0,1,0,1,0,0|1,0,1]=4 27469 B13R2.12 Clc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000755918 [0,1,0,1,0,0|1,0,1]=4 27470 B13R2.12 Fc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000211213 [0,1,0,1,0,0|1,0,1]=4 27471 B13R2.12 Nc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185761 [0,1,0,1,0,0|1,0,1]=4 27472 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185759 [0,1,0,1,0,0|1,0,1]=4 27473 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_203496583355_200010223205 [0,1,0,1,0,0|1,0,1]=4 27474 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,1,0,1,0,0|0,0,0]=2 27475 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,1,0,1,0,0|2,0,0]=4 27476 B13R2.12 Oc1ccc(cc1)N2CCCC2 271570a_203496583355_100011821362 [0,1,0,1,0,0|2,0,0]=4 27477 B13R2.12 Oc1ccc(nc1)C2CCCN2 271570a_203496583355_100000728117 [0,1,0,1,0,0|1,0,0]=3 27478 B13R2.42 CNC1CC1c2ccc(cc2)Br 2230a_100000755575_200000210301 [0,1,0,1,0,0|2,0,0]=4 27479 B13R2.42 CNC1CC1c2ccc(cc2)Br 34a_100000755575_200000210301 [0,1,0,1,0,0|2,0,0]=4 27480 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200000210301 [0,1,0,1,0,0|2,0,0]=4 27481 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200000210301 [0,1,0,1,0,0|2,0,0]=4 27482 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 2230a_100000755575_200025704644 [0,1,0,1,0,0|2,0,0]=4 27483 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 34a_100000755575_200025704644 [0,1,0,1,0,0|2,0,0]=4 27484 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200025704644 [0,1,0,1,0,0|2,0,0]=4 27485 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200025704644 [0,1,0,1,0,0|2,0,0]=4 27486 B13R2.162 CC1CCNc2c1cc(cc2)O 271570a_203496583355_200013856564 [0,1,0,1,0,0|2,0,0]=4 27487 B13R2.162 NC1CCCc2c1cc(cc2)O 271570a_203496583355_100011742594 [0,1,0,1,0,0|0,0,0]=2 27488 B13R2.162 NC1CCSc2c1cc(cc2)O 271570a_203496583355_100000744474 [0,1,0,1,0,0|1,0,0]=3 27489 B13R2.162 N[C@H]1CCOc2c1cc(cc2)O 271570a_203496583355_100020639276 [0,1,0,1,0,0|1,0,0]=3 27490 B13R2.162 O=C1CCCc2c1cc(cc2)O 271570a_203496583355_100000760428 [0,1,0,1,0,0|1,0,1]=4 27491 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [0,1,0,1,0,0|1,0,0]=3 27492 B13R2.162 Oc1ccc2c(c1)C(CCO2)O 271570a_203496583355_100000760992 [0,1,0,1,0,0|2,0,0]=4 27493 B13R2.527 Brc1ccc(cc1)CNC2CC2 34a_100000174875_100000211595 [0,1,0,1,0,0|2,0,0]=4 27494 B13R2.527 Brc1ccc(cc1)CNC2CC2 34a_100000212008_100000189115 [0,1,0,1,0,0|2,0,0]=4 27495 B13R2.527 Brc1ccc(cc1)COC2CC2 34a_100000695286_100000211595 [0,1,0,1,0,0|2,0,0]=4 27496 B13R2.527 Brc1ccc(cc1)CSC2CC2 62a_100000189115_100000211595 [0,1,0,1,0,0|2,0,0]=4 27497 B13R2.527 Brc1ccc(cc1)NCC2CC2 2230a_100000210018_100000742324 [0,1,0,1,0,0|2,0,0]=4 27498 B13R2.527 Brc1ccc(cc1)NCC2CC2 34a_100000210018_100000742324 [0,1,0,1,0,0|2,0,0]=4 27499 B13R2.527 Brc1ccc(cc1)NCC2CO2 2230a_100000210018_100011216344 [0,1,0,1,0,0|2,0,0]=4 27500 B13R2.527 Brc1ccc(cc1)NCC2CO2 34a_100000210018_102125554688 [0,1,0,1,0,0|2,0,0]=4 27501 B13R2.527 Brc1ccc(cc1)OCC2CC2 34a_100000185759_100000742324 [0,1,0,1,0,0|2,0,0]=4 27502 B13R2.527 Brc1ccc(cc1)OCC2CC2 7a_100000185759_100000742324 [0,1,0,1,0,0|2,0,0]=4 27503 B13R2.527 Brc1ccc(cc1)OCC2CO2 34a_100000185759_102125554688 [0,1,0,1,0,0|2,0,0]=4 27504 B13R2.527 Brc1ccc(cc1)OCC2CO2 7a_100000185759_102125554688 [0,1,0,1,0,0|2,0,0]=4 27505 B13R2.527 Brc1ccc(cc1)OCC2CS2 7a_100000185759_100000031435 [0,1,0,1,0,0|2,0,0]=4 27506 B13R2.527 Brc1ccc(cc1)OC[C@@H]2CO2 7a_100000185759_100000745022 [0,1,0,1,0,0|2,0,0]=4 27507 B13R2.527 Brc1ccc(cc1)SCC2CC2 62a_100000752885_100000742324 [0,1,0,1,0,0|2,0,0]=4 27508 B13R2.527 Brc1ccc(cc1)SCC2CC2 62a_100000756562_100000752885 [0,1,0,1,0,0|2,0,0]=4 27509 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_100000752885_102125554688 [0,1,0,1,0,0|2,0,0]=4 27510 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_102125554688_100000752885 [0,1,0,1,0,0|2,0,0]=4 27511 B13R2.527 Brc1ccc(cc1)SCC2CS2 62a_100000031435_100000752885 [0,1,0,1,0,0|2,0,0]=4 27512 B13R2.527 Brc1ccc(cc1)SCC2CS2 62a_100000752885_100000031435 [0,1,0,1,0,0|2,0,0]=4 27513 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000752885 [0,1,0,1,0,0|2,0,0]=4 27514 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000752885_100000745022 [0,1,0,1,0,0|2,0,0]=4 27515 B13R2.527 Cc1ccc(cc1)CNC2CC2 34a_100000174908_100000211595 [0,1,0,1,0,0|2,0,0]=4 27516 B13R2.527 Cc1ccc(cc1)CNC2CC2 34a_100000212008_100000210814 [0,1,0,1,0,0|2,0,0]=4 27517 B13R2.527 Cc1ccc(cc1)COC2CC2 34a_100011215236_100000211595 [0,1,0,1,0,0|2,0,0]=4 27518 B13R2.527 Cc1ccc(cc1)CSC2CC2 62a_100000210814_100000211595 [0,1,0,1,0,0|2,0,0]=4 27519 B13R2.527 Cc1ccc(cc1)NCC2CC2 34a_100000124888_100000742324 [0,1,0,1,0,0|2,0,0]=4 27520 B13R2.527 Cc1ccc(cc1)NCC2CO2 34a_100000124888_102125554688 [0,1,0,1,0,0|2,0,0]=4 27521 B13R2.527 Cc1ccc(cc1)OCC2CC2 34a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 27522 B13R2.527 Cc1ccc(cc1)OCC2CC2 7a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 27523 B13R2.527 Cc1ccc(cc1)OCC2CO2 34a_100000210336_102125554688 [0,1,0,1,0,0|2,0,0]=4 27524 B13R2.527 Cc1ccc(cc1)OCC2CO2 7a_100000210336_102125554688 [0,1,0,1,0,0|2,0,0]=4 27525 B13R2.527 Cc1ccc(cc1)OCC2CS2 7a_100000210336_100000031435 [0,1,0,1,0,0|2,0,0]=4 27526 B13R2.527 Cc1ccc(cc1)OC[C@@H]2CO2 7a_100000210336_100000745022 [0,1,0,1,0,0|2,0,0]=4 27527 B13R2.527 Cc1ccc(cc1)SCC2CC2 62a_100000186775_100000742324 [0,1,0,1,0,0|2,0,0]=4 27528 B13R2.527 Cc1ccc(cc1)SCC2CC2 62a_100000756562_100000186775 [0,1,0,1,0,0|2,0,0]=4 27529 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_100000186775_102125554688 [0,1,0,1,0,0|2,0,0]=4 27530 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_102125554688_100000186775 [0,1,0,1,0,0|2,0,0]=4 27531 B13R2.527 Cc1ccc(cc1)SCC2CS2 62a_100000031435_100000186775 [0,1,0,1,0,0|2,0,0]=4 27532 B13R2.527 Cc1ccc(cc1)SCC2CS2 62a_100000186775_100000031435 [0,1,0,1,0,0|2,0,0]=4 27533 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000186775_100000745022 [0,1,0,1,0,0|2,0,0]=4 27534 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000186775 [0,1,0,1,0,0|2,0,0]=4 27535 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000174871_100000211595 [0,1,0,1,0,0|2,0,0]=4 27536 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000212008_100000694040 [0,1,0,1,0,0|2,0,0]=4 27537 B13R2.527 Clc1ccc(cc1)COC2CC2 34a_100000211118_100000211595 [0,1,0,1,0,0|2,0,0]=4 27538 B13R2.527 Clc1ccc(cc1)CSC2CC2 62a_100000187161_100000211595 [0,1,0,1,0,0|2,0,0]=4 27539 B13R2.527 Clc1ccc(cc1)NCC2CC2 2230a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 27540 B13R2.527 Clc1ccc(cc1)NCC2CC2 34a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 27541 B13R2.527 Clc1ccc(cc1)NCC2CO2 2230a_100000210052_100011216344 [0,1,0,1,0,0|2,0,0]=4 27542 B13R2.527 Clc1ccc(cc1)NCC2CO2 34a_100000210052_102125554688 [0,1,0,1,0,0|2,0,0]=4 27543 B13R2.527 Clc1ccc(cc1)OCC2CC2 34a_100000210216_100000742324 [0,1,0,1,0,0|2,0,0]=4 27544 B13R2.527 Clc1ccc(cc1)OCC2CC2 7a_100000210216_100000742324 [0,1,0,1,0,0|2,0,0]=4 27545 B13R2.527 Clc1ccc(cc1)OCC2CO2 34a_100000210216_102125554688 [0,1,0,1,0,0|2,0,0]=4 27546 B13R2.527 Clc1ccc(cc1)OCC2CO2 7a_100000210216_102125554688 [0,1,0,1,0,0|2,0,0]=4 27547 B13R2.527 Clc1ccc(cc1)OCC2CS2 7a_100000210216_100000031435 [0,1,0,1,0,0|2,0,0]=4 27548 B13R2.527 Clc1ccc(cc1)OC[C@@H]2CO2 7a_100000210216_100000745022 [0,1,0,1,0,0|2,0,0]=4 27549 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000755918_100000742324 [0,1,0,1,0,0|2,0,0]=4 27550 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000756562_100000755918 [0,1,0,1,0,0|2,0,0]=4 27551 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_100000755918_102125554688 [0,1,0,1,0,0|2,0,0]=4 27552 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_102125554688_100000755918 [0,1,0,1,0,0|2,0,0]=4 27553 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000031435_100000755918 [0,1,0,1,0,0|2,0,0]=4 27554 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000755918_100000031435 [0,1,0,1,0,0|2,0,0]=4 27555 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000755918 [0,1,0,1,0,0|2,0,0]=4 27556 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000755918_100000745022 [0,1,0,1,0,0|2,0,0]=4 27557 B13R2.527 Fc1ccc(cc1)CNC2CC2 34a_100000174882_100000211595 [0,1,0,1,0,0|2,0,0]=4 27558 B13R2.527 Fc1ccc(cc1)CNC2CC2 34a_100000212008_100000198546 [0,1,0,1,0,0|2,0,0]=4 27559 B13R2.527 Fc1ccc(cc1)COC2CC2 34a_100000210977_100000211595 [0,1,0,1,0,0|2,0,0]=4 27560 B13R2.527 Fc1ccc(cc1)CSC2CC2 62a_100000198546_100000211595 [0,1,0,1,0,0|2,0,0]=4 27561 B13R2.527 Fc1ccc(cc1)NCC2CC2 34a_100000185862_100000742324 [0,1,0,1,0,0|2,0,0]=4 27562 B13R2.527 Fc1ccc(cc1)NCC2CO2 34a_100000185862_102125554688 [0,1,0,1,0,0|2,0,0]=4 27563 B13R2.527 Fc1ccc(cc1)OCC2CC2 34a_100000210339_100000742324 [0,1,0,1,0,0|2,0,0]=4 27564 B13R2.527 Fc1ccc(cc1)OCC2CO2 34a_100000210339_102125554688 [0,1,0,1,0,0|2,0,0]=4 27565 B13R2.527 Fc1ccc(cc1)SCC2CC2 62a_100000211213_100000742324 [0,1,0,1,0,0|2,0,0]=4 27566 B13R2.527 Fc1ccc(cc1)SCC2CC2 62a_100000756562_100000211213 [0,1,0,1,0,0|2,0,0]=4 27567 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_100000211213_102125554688 [0,1,0,1,0,0|2,0,0]=4 27568 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_102125554688_100000211213 [0,1,0,1,0,0|2,0,0]=4 27569 B13R2.527 Fc1ccc(cc1)SCC2CS2 62a_100000031435_100000211213 [0,1,0,1,0,0|2,0,0]=4 27570 B13R2.527 Fc1ccc(cc1)SCC2CS2 62a_100000211213_100000031435 [0,1,0,1,0,0|2,0,0]=4 27571 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000211213_100000745022 [0,1,0,1,0,0|2,0,0]=4 27572 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000211213 [0,1,0,1,0,0|2,0,0]=4 27573 B13R2.527 Ic1ccc(cc1)CNC2CC2 34a_100000212008_100000189116 [0,1,0,1,0,0|2,0,0]=4 27574 B13R2.527 Ic1ccc(cc1)CNC2CC2 34a_100016989417_100000211595 [0,1,0,1,0,0|2,0,0]=4 27575 B13R2.527 Ic1ccc(cc1)COC2CC2 34a_100000690907_100000211595 [0,1,0,1,0,0|2,0,0]=4 27576 B13R2.527 Ic1ccc(cc1)CSC2CC2 62a_100000189116_100000211595 [0,1,0,1,0,0|2,0,0]=4 27577 B13R2.527 Ic1ccc(cc1)NCC2CC2 34a_100000185761_100000742324 [0,1,0,1,0,0|2,0,0]=4 27578 B13R2.527 Ic1ccc(cc1)NCC2CO2 34a_100000185761_102125554688 [0,1,0,1,0,0|2,0,0]=4 27579 B13R2.527 Ic1ccc(cc1)OCC2CC2 34a_100000212066_100000742324 [0,1,0,1,0,0|2,0,0]=4 27580 B13R2.527 Ic1ccc(cc1)OCC2CC2 7a_100000212066_100000742324 [0,1,0,1,0,0|2,0,0]=4 27581 B13R2.527 Ic1ccc(cc1)OCC2CO2 34a_100000212066_102125554688 [0,1,0,1,0,0|2,0,0]=4 27582 B13R2.527 Ic1ccc(cc1)OCC2CO2 7a_100000212066_102125554688 [0,1,0,1,0,0|2,0,0]=4 27583 B13R2.527 Ic1ccc(cc1)OCC2CS2 7a_100000212066_100000031435 [0,1,0,1,0,0|2,0,0]=4 27584 B13R2.527 Ic1ccc(cc1)OC[C@@H]2CO2 7a_100000212066_100000745022 [0,1,0,1,0,0|2,0,0]=4 27585 B13R2.527 Nc1ccc(cc1)COC2CC2 34a_100011215238_100000211595 [0,1,0,1,0,0|2,0,0]=4 27586 B13R2.527 Nc1ccc(cc1)OCC2CC2 34a_100000185829_100000742324 [0,1,0,1,0,0|2,0,0]=4 27587 B13R2.527 Nc1ccc(cc1)OCC2CO2 34a_100000185829_102125554688 [0,1,0,1,0,0|2,0,0]=4 27588 B13R2.527 Nc1ccc(cc1)SCC2CC2 62a_100000185761_100000742324 [0,1,0,1,0,0|2,0,0]=4 27589 B13R2.527 Nc1ccc(cc1)SCC2CC2 62a_100000756562_100000185761 [0,1,0,1,0,0|2,0,0]=4 27590 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_100000185761_102125554688 [0,1,0,1,0,0|2,0,0]=4 27591 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_102125554688_100000185761 [0,1,0,1,0,0|2,0,0]=4 27592 B13R2.527 Nc1ccc(cc1)SCC2CS2 62a_100000031435_100000185761 [0,1,0,1,0,0|2,0,0]=4 27593 B13R2.527 Nc1ccc(cc1)SCC2CS2 62a_100000185761_100000031435 [0,1,0,1,0,0|2,0,0]=4 27594 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000185761_100000745022 [0,1,0,1,0,0|2,0,0]=4 27595 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185761 [0,1,0,1,0,0|2,0,0]=4 27596 B13R2.527 Oc1ccc(cc1)CNC2CC2 271570a_203496583355_100015184634 [0,1,0,1,0,0|2,0,0]=4 27597 B13R2.527 Oc1ccc(cc1)CNC2CC2 34a_100000185549_100000211595 [0,1,0,1,0,0|2,0,0]=4 27598 B13R2.527 Oc1ccc(cc1)NCC2CC2 34a_100000185829_100000742324 [0,1,0,1,0,0|2,0,0]=4 27599 B13R2.527 Oc1ccc(cc1)NCC2CO2 34a_100000185829_102125554688 [0,1,0,1,0,0|2,0,0]=4 27600 B13R2.527 Oc1ccc(cc1)OCC2CC2 271570a_203496583355_100011316336 [0,1,0,1,0,0|2,0,0]=4 27601 B13R2.527 Oc1ccc(cc1)SCC2CC2 62a_100000756562_100000185759 [0,1,0,1,0,0|2,0,0]=4 27602 B13R2.527 Oc1ccc(cc1)SCC2CO2 62a_102125554688_100000185759 [0,1,0,1,0,0|2,0,0]=4 27603 B13R2.527 Oc1ccc(cc1)SCC2CS2 62a_100000031435_100000185759 [0,1,0,1,0,0|2,0,0]=4 27604 B13R2.527 Oc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185759 [0,1,0,1,0,0|2,0,0]=4 27605 B13R2.1069 Brc1ccc(cc1)CN2CCC2 269982a_100000754969_100011217064 [0,1,0,1,0,0|2,0,0]=4 27606 B13R2.1069 Brc1ccc(cc1)CN2CCC2 26a_100000754969_100000185759 [0,1,0,1,0,0|2,0,0]=4 27607 B13R2.1069 Brc1ccc(cc1)NC2CCC2 34a_100000210018_100000749161 [0,1,0,1,0,0|2,0,0]=4 27608 B13R2.1069 Brc1ccc(cc1)OC2CCC2 34a_100000185759_100000749161 [0,1,0,1,0,0|2,0,0]=4 27609 B13R2.1069 Brc1ccc(cc1)SC2CCC2 62a_100000752885_100000749161 [0,1,0,1,0,0|2,0,0]=4 27610 B13R2.1069 Cc1ccc(cc1)CN2CCC2 269982a_100000754969_100000210814 [0,1,0,1,0,0|2,0,0]=4 27611 B13R2.1069 Cc1ccc(cc1)CN2CCC2 26a_100000754969_200020625495 [0,1,0,1,0,0|2,0,0]=4 27612 B13R2.1069 Cc1ccc(cc1)NC2CCC2 34a_100000124888_100000749161 [0,1,0,1,0,0|2,0,0]=4 27613 B13R2.1069 Cc1ccc(cc1)OC2CCC2 34a_100000210336_100000749161 [0,1,0,1,0,0|2,0,0]=4 27614 B13R2.1069 Cc1ccc(cc1)SC2CCC2 62a_100000186775_100000749161 [0,1,0,1,0,0|2,0,0]=4 27615 B13R2.1069 Clc1ccc(cc1)CN2CCC2 269982a_100000754969_100000187161 [0,1,0,1,0,0|2,0,0]=4 27616 B13R2.1069 Clc1ccc(cc1)NC2CCC2 34a_100000210052_100000749161 [0,1,0,1,0,0|2,0,0]=4 27617 B13R2.1069 Clc1ccc(cc1)OC2CCC2 34a_100000210216_100000749161 [0,1,0,1,0,0|2,0,0]=4 27618 B13R2.1069 Clc1ccc(cc1)SC2CCC2 62a_100000755918_100000749161 [0,1,0,1,0,0|2,0,0]=4 27619 B13R2.1069 Fc1ccc(cc1)CN2CCC2 269982a_100000754969_100000198546 [0,1,0,1,0,0|2,0,0]=4 27620 B13R2.1069 Fc1ccc(cc1)NC2CCC2 34a_100000185862_100000749161 [0,1,0,1,0,0|2,0,0]=4 27621 B13R2.1069 Fc1ccc(cc1)OC2CCC2 34a_100000210339_100000749161 [0,1,0,1,0,0|2,0,0]=4 27622 B13R2.1069 Fc1ccc(cc1)SC2CCC2 62a_100000211213_100000749161 [0,1,0,1,0,0|2,0,0]=4 27623 B13R2.1069 Ic1ccc(cc1)CN2CCC2 269982a_100000754969_100000189116 [0,1,0,1,0,0|2,0,0]=4 27624 B13R2.1069 Ic1ccc(cc1)NC2CCC2 34a_100000185761_100000749161 [0,1,0,1,0,0|2,0,0]=4 27625 B13R2.1069 Ic1ccc(cc1)OC2CCC2 34a_100000212066_100000749161 [0,1,0,1,0,0|2,0,0]=4 27626 B13R2.1069 Nc1ccc(cc1)OC2CCC2 34a_100000185829_100000749161 [0,1,0,1,0,0|2,0,0]=4 27627 B13R2.1069 Nc1ccc(cc1)SC2CCC2 62a_100000185761_100000749161 [0,1,0,1,0,0|2,0,0]=4 27628 B13R2.1069 Oc1ccc(cc1)NC2CCC2 34a_100000185829_100000749161 [0,1,0,1,0,0|2,0,0]=4 27629 B13R2.2136 CNC1CCc2c1cc(cc2)Br 2230a_100011435097_200000210301 [0,1,0,1,0,0|2,0,0]=4 27630 B13R2.2136 CNC1CCc2c1cc(cc2)Br 269862a_106832991636_100000759401 [0,1,0,1,0,0|2,0,0]=4 27631 B13R2.2136 CNC1CCc2c1cc(cc2)Br 34a_100011435097_200000210301 [0,1,0,1,0,0|2,0,0]=4 27632 B13R2.2136 CNC1CCc2c1cc(cc2)C 269862a_106832991636_100000753597 [0,1,0,1,0,0|2,0,0]=4 27633 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 27634 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 269862a_106832991636_100000759629 [0,1,0,1,0,0|2,0,0]=4 27635 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 34a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 27636 B13R2.2136 CNC1CCc2c1cc(cc2)F 2230a_100000752734_200000210301 [0,1,0,1,0,0|2,0,0]=4 27637 B13R2.2136 CNC1CCc2c1cc(cc2)F 269862a_106832991636_100000759630 [0,1,0,1,0,0|2,0,0]=4 27638 B13R2.2136 CNC1CCc2c1cc(cc2)F 34a_100000752734_200000210301 [0,1,0,1,0,0|2,0,0]=4 27639 B13R2.2136 CNC1CCc2c1cc(cc2)I 269862a_106832991636_100011356848 [0,1,0,1,0,0|2,0,0]=4 27640 B13R2.2136 COC1CCc2c1cc(cc2)Br 34a_100011836024_200000210301 [0,1,0,1,0,0|2,0,0]=4 27641 B13R2.2136 COC1CCc2c1cc(cc2)Br 7a_100011836024_200000210301 [0,1,0,1,0,0|2,0,0]=4 27642 B13R2.2136 N#CC1CCc2c1cc(cc2)O 271570a_203496583355_100012360268 [0,1,0,1,0,0|0,0,2]=4 27643 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 2230a_100011435097_200025704644 [0,1,0,1,0,0|2,0,0]=4 27644 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 34a_100011435097_200025704644 [0,1,0,1,0,0|2,0,0]=4 27645 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 2230a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 27646 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 34a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 27647 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 2230a_100000752734_200025704644 [0,1,0,1,0,0|2,0,0]=4 27648 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 34a_100000752734_200025704644 [0,1,0,1,0,0|2,0,0]=4 27649 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 34a_100011836024_200025704644 [0,1,0,1,0,0|2,0,0]=4 27650 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 7a_100011836024_200025704644 [0,1,0,1,0,0|2,0,0]=4 27651 B13R2.3729 Oc1ccc2c(c1)NCCCC2 271570a_203496583355_100010199521 [0,1,0,1,0,0|0,0,0]=2 27652 B13R2.3729 Oc1ccc2c(c1)OCCCO2 271570a_203496583355_100000739260 [0,1,0,1,0,0|2,0,0]=4 27653 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,1,0,1,0,0|1,0,0]=3 27654 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,1,0,1,0,0|1,0,0]=3 27655 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [0,1,0,1,0,0|2,0,0]=4 27656 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,1,0,1,0,0|1,0,0]=3 27657 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,1,0,1,0,0|1,0,0]=3 27658 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,1,0,1,0,0|1,0,0]=3 27659 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,1,0,1,0,0|1,0,0]=3 27660 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,1,0,1,0,0|1,0,0]=3 27661 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,1,0,1,0,0|0,0,0]=2 27662 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,1,0,1,0,0|0,0,0]=2 27663 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [0,1,0,1,0,0|1,0,0]=3 27664 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [0,1,0,1,0,0|1,0,0]=3 27665 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [0,1,0,1,0,0|1,0,0]=3 27666 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [0,1,0,1,0,0|1,0,0]=3 27667 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,1,0,1,0,0|0,0,0]=2 27668 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,1,0,1,0,0|0,0,0]=2 27669 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,1,0,1,0,0|1,0,0]=3 27670 B13R2.3 C1=C(CCCC1)c2ccccn2 271570a_100000062251_100011216584 [0,1,0,1,0,0|2,0,0]=4 27671 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [0,1,0,1,0,0|2,0,0]=4 27672 B13R2.3 C1=C(CCCC1)c2ccncc2 271570a_100000062251_100000035832 [0,1,0,1,0,0|2,0,0]=4 27673 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,1,0,1,0,0|1,0,1]=4 27674 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,1,0,1,0,0|1,0,1]=4 27675 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,1,0,1,0,0|1,0,1]=4 27676 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,1,0,1,0,0|1,0,1]=4 27677 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,1,0,1,0,0|1,0,1]=4 27678 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,1,0,1,0,0|0,0,0]=2 27679 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,1,0,1,0,0|0,0,0]=2 27680 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,1,0,1,0,0|0,0,0]=2 27681 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [0,1,0,1,0,0|1,0,0]=3 27682 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [0,1,0,1,0,0|1,0,0]=3 27683 B13R2.15 CN1CCCC1c2cccnc2 2230a_100000233489_200000210301 [0,1,0,1,0,0|1,0,0]=3 27684 B13R2.15 CN1CCCC1c2cccnc2 269982a_100000233489_200000210301 [0,1,0,1,0,0|1,0,0]=3 27685 B13R2.15 CN1CCCC1c2ccncc2 2230a_106446545576_200000210301 [0,1,0,1,0,0|1,0,0]=3 27686 B13R2.15 CN1CCCC1c2ccncc2 269982a_106446545576_200000210301 [0,1,0,1,0,0|1,0,0]=3 27687 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,1,0,1,0,0|1,0,0]=3 27688 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,1,0,1,0,0|1,0,0]=3 27689 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,1,0,1,0,0|1,0,0]=3 27690 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,1,0,1,0,0|1,0,0]=3 27691 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,1,0,1,0,0|0,0,0]=2 27692 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,1,0,1,0,0|0,0,0]=2 27693 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,1,0,1,0,0|0,0,0]=2 27694 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [0,1,0,1,0,0|1,0,0]=3 27695 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [0,1,0,1,0,0|1,0,0]=3 27696 B13R2.15 [13CH3]N1CCCC1c2cccnc2 2230a_100000233489_200025704644 [0,1,0,1,0,0|1,0,0]=3 27697 B13R2.15 [13CH3]N1CCCC1c2cccnc2 269982a_100000233489_200025704644 [0,1,0,1,0,0|1,0,0]=3 27698 B13R2.15 [13CH3]N1CCCC1c2ccncc2 2230a_106446545576_200025704644 [0,1,0,1,0,0|1,0,0]=3 27699 B13R2.15 [13CH3]N1CCCC1c2ccncc2 269982a_106446545576_200025704644 [0,1,0,1,0,0|1,0,0]=3 27700 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,1,0,1,0,0|1,0,0]=3 27701 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,1,0,1,0,0|1,0,0]=3 27702 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,1,0,1,0,0|1,0,0]=3 27703 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,1,0,1,0,0|1,0,0]=3 27704 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,1,0,1,0,0|1,0,0]=3 27705 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,1,0,1,0,0|1,0,0]=3 27706 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 2230a_100025746932_100000721315 [0,1,0,1,0,0|2,0,0]=4 27707 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 34a_100025746932_100000721315 [0,1,0,1,0,0|2,0,0]=4 27708 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 2230a_100025746932_100000741622 [0,1,0,1,0,0|2,0,0]=4 27709 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 34a_100025746932_100000733263 [0,1,0,1,0,0|2,0,0]=4 27710 B13R2.17 F[C@@H]1C[C@H]1NCc2ccncc2 2230a_100025746932_100015193705 [0,1,0,1,0,0|2,0,0]=4 27711 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,1,0,1,0,0|1,0,0]=3 27712 B13R2.17 F[C@H]1C[C@H]1NCc2ccccn2 2230a_100015190264_100000721315 [0,1,0,1,0,0|2,0,0]=4 27713 B13R2.17 F[C@H]1C[C@H]1NCc2cccnc2 2230a_100015190264_100000741622 [0,1,0,1,0,0|2,0,0]=4 27714 B13R2.17 F[C@H]1C[C@H]1NCc2ccncc2 2230a_100015190264_100015193705 [0,1,0,1,0,0|2,0,0]=4 27715 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,1,0,1,0,0|1,0,0]=3 27716 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,1,0,1,0,0|1,0,0]=3 27717 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 27718 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 27719 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,1,0,1,0,0|2,0,0]=4 27720 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,1,0,1,0,0|2,0,0]=4 27721 B13R2.25 FCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015361967 [0,1,0,1,0,0|1,0,0]=3 27722 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 27723 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 27724 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,1,0,1,0,0|2,0,0]=4 27725 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,1,0,1,0,0|2,0,0]=4 27726 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,1,0,1,0,0|1,0,0]=3 27727 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,1,0,1,0,0|1,0,0]=3 27728 B13R2.27 CC1CCN1Cc2ccccn2 269982a_100000755817_100000721315 [0,1,0,1,0,0|2,0,0]=4 27729 B13R2.27 CC1CCN1Cc2ccccn2 34a_100000755817_100000721315 [0,1,0,1,0,0|2,0,0]=4 27730 B13R2.27 CC1CCN1Cc2cccnc2 269982a_100000755817_100000733263 [0,1,0,1,0,0|2,0,0]=4 27731 B13R2.27 CC1CCN1Cc2cccnc2 34a_100000755817_100000733263 [0,1,0,1,0,0|2,0,0]=4 27732 B13R2.27 CC1CCN1Cc2ccncc2 269982a_100000755817_100015193705 [0,1,0,1,0,0|2,0,0]=4 27733 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,1,0,1,0,0|1,0,1]=4 27734 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,1,0,1,0,0|1,0,1]=4 27735 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,1,0,1,0,0|1,0,1]=4 27736 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,1,0,1,0,0|1,0,1]=4 27737 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,1,0,1,0,0|1,0,1]=4 27738 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,1,0,1,0,0|1,0,0]=3 27739 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,1,0,1,0,0|1,0,0]=3 27740 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,1,0,1,0,0|1,0,0]=3 27741 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100015361967 [0,1,0,1,0,0|1,0,0]=3 27742 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015361967 [0,1,0,1,0,0|1,0,0]=3 27743 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,1,0,1,0,0|1,0,0]=3 27744 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,1,0,1,0,0|1,0,0]=3 27745 B13R2.56 FCN1CCC1c2ccccc2 269982a_100000739605_100015361967 [0,1,0,1,0,0|1,0,0]=3 27746 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,1,0,1,0,0|1,0,1]=4 27747 B13R2.64 c1cc(ccn1)CN2CCCC2 2230a_100000188435_100015193705 [0,1,0,1,0,0|2,0,0]=4 27748 B13R2.64 c1cc(ccn1)CN2CCCC2 269982a_100000188435_100015193705 [0,1,0,1,0,0|2,0,0]=4 27749 B13R2.64 c1cc(ccn1)OC2CCCC2 34a_100000212176_100000179811 [0,1,0,1,0,0|2,0,0]=4 27750 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100000728582_100000179811 [0,1,0,1,0,0|2,0,0]=4 27751 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100011217020_100000728582 [0,1,0,1,0,0|2,0,0]=4 27752 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,1,0,1,0,0|1,0,0]=3 27753 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,1,0,1,0,0|1,0,0]=3 27754 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,1,0,1,0,0|1,0,0]=3 27755 B13R2.64 c1ccc(cc1)CN2CCSC2 2230a_100011215254_100015291786 [0,1,0,1,0,0|2,0,0]=4 27756 B13R2.64 c1ccc(cc1)CN2CCSC2 269982a_100011215254_100000211182 [0,1,0,1,0,0|2,0,0]=4 27757 B13R2.64 c1ccc(cc1)CN2CCSC2 270004a_100011215254_100015611070 [0,1,0,1,0,0|2,0,0]=4 27758 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,1,0,1,0,0|1,0,0]=3 27759 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,1,0,1,0,0|2,0,0]=4 27760 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,1,0,1,0,0|1,0,0]=3 27761 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,1,0,1,0,0|1,0,0]=3 27762 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,1,0,1,0,0|2,0,0]=4 27763 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,1,0,1,0,0|2,0,0]=4 27764 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,1,0,1,0,0|1,0,0]=3 27765 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,1,0,1,0,0|1,0,0]=3 27766 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,1,0,1,0,0|2,0,0]=4 27767 B13R2.64 c1ccc(nc1)CN2CCCC2 2230a_100000188435_100000721315 [0,1,0,1,0,0|2,0,0]=4 27768 B13R2.64 c1ccc(nc1)CN2CCCC2 269982a_100000188435_100000721315 [0,1,0,1,0,0|2,0,0]=4 27769 B13R2.64 c1ccc(nc1)CN2CCCC2 270004a_100000188435_100000209966 [0,1,0,1,0,0|2,0,0]=4 27770 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011216584_100000179811 [0,1,0,1,0,0|2,0,0]=4 27771 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011217020_100011216584 [0,1,0,1,0,0|2,0,0]=4 27772 B13R2.64 c1cncc(c1)CN2CCCC2 2230a_100000188435_100000741622 [0,1,0,1,0,0|2,0,0]=4 27773 B13R2.64 c1cncc(c1)CN2CCCC2 269982a_100000188435_100000733263 [0,1,0,1,0,0|2,0,0]=4 27774 B13R2.64 c1cncc(c1)CN2CCCC2 270004a_100000188435_100000209961 [0,1,0,1,0,0|2,0,0]=4 27775 B13R2.64 c1cncc(c1)OC2CCCC2 34a_100000210849_100000179811 [0,1,0,1,0,0|2,0,0]=4 27776 B13R2.64 c1cncc(c1)OC2CCCC2 7a_100000210849_100000179811 [0,1,0,1,0,0|2,0,0]=4 27777 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100000210063_100000179811 [0,1,0,1,0,0|2,0,0]=4 27778 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100011217020_100000210063 [0,1,0,1,0,0|2,0,0]=4 27779 B13R2.1028 C#CCSC1Cc2c1cccc2 62a_100000038162_100009813401 [0,1,0,1,0,0|1,0,1]=4 27780 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100000210623_100009813401 [0,1,0,1,0,0|1,0,1]=4 27781 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100009813401_100000210623 [0,1,0,1,0,0|1,0,1]=4 27782 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,1,0,1,0,0|1,0,0]=3 27783 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,1,0,1,0,0|1,0,0]=3 27784 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,1,0,1,0,0|1,0,0]=3 27785 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,1,0,1,0,0|1,0,0]=3 27786 B13R2.1028 COCSC1Cc2c1cccc2 62a_100000766300_100009813401 [0,1,0,1,0,0|2,0,0]=4 27787 B13R2.1028 COCSC1Cc2c1cccc2 62a_100009813401_100000766300 [0,1,0,1,0,0|2,0,0]=4 27788 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100009813401_100011218213 [0,1,0,1,0,0|2,0,0]=4 27789 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100011218213_100009813401 [0,1,0,1,0,0|2,0,0]=4 27790 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100009813401_100011217306 [0,1,0,1,0,0|1,0,0]=3 27791 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100011217306_100009813401 [0,1,0,1,0,0|1,0,0]=3 27792 B13R2.1028 FCOCC1Cc2c1cccc2 34a_100012476685_100015361967 [0,1,0,1,0,0|1,0,0]=3 27793 B13R2.1028 FCOCC1Cc2c1cccc2 7a_100012476685_100015361967 [0,1,0,1,0,0|1,0,0]=3 27794 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100009813401_100011215382 [0,1,0,1,0,0|0,0,2]=4 27795 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100011215382_100009813401 [0,1,0,1,0,0|0,0,2]=4 27796 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_100009813401_200015260668 [0,1,0,1,0,0|1,0,1]=4 27797 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_200015260668_100009813401 [0,1,0,1,0,0|1,0,1]=4 27798 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100000211926_100009813401 [0,1,0,1,0,0|1,0,0]=3 27799 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100009813401_100000211926 [0,1,0,1,0,0|1,0,0]=3 27800 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,1,0,1,0,0|0,0,0]=2 27801 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,1,0,1,0,0|1,0,0]=3 27802 B13R2.1613 CNC1CCCc2c1ccnc2 2230a_100020634316_200000210301 [0,1,0,1,0,0|1,0,0]=3 27803 B13R2.1613 CNC1CCCc2c1ccnc2 269862a_106832991636_100000087567 [0,1,0,1,0,0|1,0,0]=3 27804 B13R2.1613 CNC1CCCc2c1cncc2 269862a_106832991636_100016991936 [0,1,0,1,0,0|1,0,0]=3 27805 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,1,0,1,0,0|1,0,0]=3 27806 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,1,0,1,0,0|1,0,0]=3 27807 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|1,0,0]=3 27808 B13R2.1613 CNC1CCOc2c1nccc2 2230a_100009852857_200000210301 [0,1,0,1,0,0|2,0,0]=4 27809 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,1,0,1,0,0|1,0,0]=3 27810 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,1,0,1,0,0|1,0,0]=3 27811 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,1,0,1,0,0|0,0,0]=2 27812 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 27813 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 27814 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|2,0,0]=4 27815 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,1,0,1,0,0|2,0,0]=4 27816 B13R2.1613 [13CH3]NC1CCCc2c1ccnc2 2230a_100020634316_200025704644 [0,1,0,1,0,0|1,0,0]=3 27817 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,1,0,1,0,0|1,0,0]=3 27818 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|1,0,0]=3 27819 B13R2.1613 [13CH3]NC1CCOc2c1nccc2 2230a_100009852857_200025704644 [0,1,0,1,0,0|2,0,0]=4 27820 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,1,0,1,0,0|0,0,0]=2 27821 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 27822 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 27823 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|2,0,0]=4 27824 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,1,0,1,0,0|2,0,0]=4 27825 B13R2.2382 c1cc(ccn1)CCOC2CC2 34a_100011216225_100000211595 [0,1,0,1,0,0|2,0,0]=4 27826 B13R2.2382 c1cc(ccn1)CCSC2CC2 62a_100000723409_100000211595 [0,1,0,1,0,0|2,0,0]=4 27827 B13R2.2382 c1cc(ccn1)CNCC2CC2 207a_100000735609_100000186114 [0,1,0,1,0,0|2,0,0]=4 27828 B13R2.2382 c1cc(ccn1)CNCC2CC2 2230a_100000735609_100015193705 [0,1,0,1,0,0|2,0,0]=4 27829 B13R2.2382 c1cc(ccn1)CNCC2CC2 269862a_100000210450_100000741477 [0,1,0,1,0,0|2,0,0]=4 27830 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100000756562_100015193705 [0,1,0,1,0,0|2,0,0]=4 27831 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100015193705_100000742324 [0,1,0,1,0,0|2,0,0]=4 27832 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_100015193705_102125554688 [0,1,0,1,0,0|2,0,0]=4 27833 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_102125554688_100015193705 [0,1,0,1,0,0|2,0,0]=4 27834 B13R2.2382 c1cc(ccn1)CSCC2CS2 62a_100000031435_100015193705 [0,1,0,1,0,0|2,0,0]=4 27835 B13R2.2382 c1cc(ccn1)CSCC2CS2 62a_100015193705_100000031435 [0,1,0,1,0,0|2,0,0]=4 27836 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100000745022_100015193705 [0,1,0,1,0,0|2,0,0]=4 27837 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100015193705_100000745022 [0,1,0,1,0,0|2,0,0]=4 27838 B13R2.2382 c1cc(ccn1)OCCC2CC2 34a_100000212176_100000694398 [0,1,0,1,0,0|2,0,0]=4 27839 B13R2.2382 c1cc(ccn1)OCCC2CO2 34a_100000212176_100000732470 [0,1,0,1,0,0|2,0,0]=4 27840 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000728582_100000764125 [0,1,0,1,0,0|2,0,0]=4 27841 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000764125_100000728582 [0,1,0,1,0,0|2,0,0]=4 27842 B13R2.2382 c1cc(ccn1)SCCC2CO2 62a_100000728582_100000732470 [0,1,0,1,0,0|2,0,0]=4 27843 B13R2.2382 c1cc(ccn1)SCCC2CO2 62a_100000732470_100000728582 [0,1,0,1,0,0|2,0,0]=4 27844 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000106460_100000211595 [0,1,0,1,0,0|1,0,0]=3 27845 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000212008_100000765856 [0,1,0,1,0,0|1,0,0]=3 27846 B13R2.2382 c1ccc(cc1)CCOC2CC2 34a_100000210268_100000211595 [0,1,0,1,0,0|1,0,0]=3 27847 B13R2.2382 c1ccc(cc1)CCSC2CC2 62a_100000765856_100000211595 [0,1,0,1,0,0|1,0,0]=3 27848 B13R2.2382 c1ccc(cc1)CNCC2CC2 207a_100000735609_100015611070 [0,1,0,1,0,0|1,0,0]=3 27849 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100000735609_100015291786 [0,1,0,1,0,0|1,0,0]=3 27850 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100015324214_100000742324 [0,1,0,1,0,0|1,0,0]=3 27851 B13R2.2382 c1ccc(cc1)CNCC2CC2 269862a_100015324214_100000741477 [0,1,0,1,0,0|1,0,0]=3 27852 B13R2.2382 c1ccc(cc1)CNCC2CC2 270004a_100000735609_100015611070 [0,1,0,1,0,0|1,0,0]=3 27853 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100000735609_100015291786 [0,1,0,1,0,0|1,0,0]=3 27854 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100015324214_100000742324 [0,1,0,1,0,0|1,0,0]=3 27855 B13R2.2382 c1ccc(cc1)CNCC2CO2 2230a_100015324214_100011216344 [0,1,0,1,0,0|1,0,0]=3 27856 B13R2.2382 c1ccc(cc1)CNCC2CO2 34a_100015324214_102125554688 [0,1,0,1,0,0|1,0,0]=3 27857 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000210790_100000742324 [0,1,0,1,0,0|1,0,0]=3 27858 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000211283_100015291786 [0,1,0,1,0,0|1,0,0]=3 27859 B13R2.2382 c1ccc(cc1)COCC2CC2 7a_100000210790_100000742324 [0,1,0,1,0,0|1,0,0]=3 27860 B13R2.2382 c1ccc(cc1)COCC2CO2 34a_100000210790_102125554688 [0,1,0,1,0,0|1,0,0]=3 27861 B13R2.2382 c1ccc(cc1)COCC2CO2 7a_100000210790_102125554688 [0,1,0,1,0,0|1,0,0]=3 27862 B13R2.2382 c1ccc(cc1)COCC2CS2 7a_100000210790_100000031435 [0,1,0,1,0,0|1,0,0]=3 27863 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100015291786 [0,1,0,1,0,0|1,0,0]=3 27864 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 7a_100000210790_100000745022 [0,1,0,1,0,0|1,0,0]=3 27865 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000211182_100000742324 [0,1,0,1,0,0|1,0,0]=3 27866 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000756562_100015291786 [0,1,0,1,0,0|1,0,0]=3 27867 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_100000211182_102125554688 [0,1,0,1,0,0|1,0,0]=3 27868 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_102125554688_100015291786 [0,1,0,1,0,0|1,0,0]=3 27869 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000031435_100015291786 [0,1,0,1,0,0|1,0,0]=3 27870 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000211182_100000031435 [0,1,0,1,0,0|1,0,0]=3 27871 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000211182_100000745022 [0,1,0,1,0,0|1,0,0]=3 27872 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100015291786 [0,1,0,1,0,0|1,0,0]=3 27873 B13R2.2382 c1ccc(cc1)NCCC2CC2 34a_100000106764_100000694398 [0,1,0,1,0,0|1,0,0]=3 27874 B13R2.2382 c1ccc(cc1)NCCC2CO2 34a_100000106764_100000732470 [0,1,0,1,0,0|1,0,0]=3 27875 B13R2.2382 c1ccc(cc1)OCCC2CC2 34a_100000210340_100000694398 [0,1,0,1,0,0|1,0,0]=3 27876 B13R2.2382 c1ccc(cc1)OCCC2CC2 7a_100000210340_100000764125 [0,1,0,1,0,0|1,0,0]=3 27877 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,1,0,1,0,0|1,0,0]=3 27878 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,1,0,1,0,0|1,0,0]=3 27879 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000719477_100000764125 [0,1,0,1,0,0|1,0,0]=3 27880 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000764125_100000041952 [0,1,0,1,0,0|1,0,0]=3 27881 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000719477_100000732470 [0,1,0,1,0,0|1,0,0]=3 27882 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000732470_100000041952 [0,1,0,1,0,0|1,0,0]=3 27883 B13R2.2382 c1ccc(cc1)SCSC2CC2 62a_100011218342_100000211595 [0,1,0,1,0,0|2,0,0]=4 27884 B13R2.2382 c1ccc(nc1)CCOC2CC2 34a_100000210271_100000211595 [0,1,0,1,0,0|2,0,0]=4 27885 B13R2.2382 c1ccc(nc1)CCSC2CC2 62a_100015183660_100000211595 [0,1,0,1,0,0|2,0,0]=4 27886 B13R2.2382 c1ccc(nc1)CNCC2CC2 207a_100000735609_100000209966 [0,1,0,1,0,0|2,0,0]=4 27887 B13R2.2382 c1ccc(nc1)CNCC2CC2 2230a_100000735609_100000721315 [0,1,0,1,0,0|2,0,0]=4 27888 B13R2.2382 c1ccc(nc1)CNCC2CC2 270004a_100000735609_100000209966 [0,1,0,1,0,0|2,0,0]=4 27889 B13R2.2382 c1ccc(nc1)CNCC2CC2 34a_100000735609_100000721315 [0,1,0,1,0,0|2,0,0]=4 27890 B13R2.2382 c1ccc(nc1)COCC2CC2 34a_100000211283_100000721315 [0,1,0,1,0,0|2,0,0]=4 27891 B13R2.2382 c1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000721315 [0,1,0,1,0,0|2,0,0]=4 27892 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000721315_100000742324 [0,1,0,1,0,0|2,0,0]=4 27893 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000756562_100000721315 [0,1,0,1,0,0|2,0,0]=4 27894 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_100000721315_102125554688 [0,1,0,1,0,0|2,0,0]=4 27895 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_102125554688_100000721315 [0,1,0,1,0,0|2,0,0]=4 27896 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000031435_100000721315 [0,1,0,1,0,0|2,0,0]=4 27897 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000721315_100000031435 [0,1,0,1,0,0|2,0,0]=4 27898 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000721315_100000745022 [0,1,0,1,0,0|2,0,0]=4 27899 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000721315 [0,1,0,1,0,0|2,0,0]=4 27900 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100000764125_100011216584 [0,1,0,1,0,0|2,0,0]=4 27901 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100011216584_100000764125 [0,1,0,1,0,0|2,0,0]=4 27902 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100000732470_100011216584 [0,1,0,1,0,0|2,0,0]=4 27903 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100011216584_100000732470 [0,1,0,1,0,0|2,0,0]=4 27904 B13R2.2382 c1cncc(c1)CCOC2CC2 34a_100011217484_100000211595 [0,1,0,1,0,0|2,0,0]=4 27905 B13R2.2382 c1cncc(c1)CCSC2CC2 62a_200011713674_100000211595 [0,1,0,1,0,0|2,0,0]=4 27906 B13R2.2382 c1cncc(c1)CNCC2CC2 207a_100000735609_100000209961 [0,1,0,1,0,0|2,0,0]=4 27907 B13R2.2382 c1cncc(c1)CNCC2CC2 2230a_100000735609_100000741622 [0,1,0,1,0,0|2,0,0]=4 27908 B13R2.2382 c1cncc(c1)CNCC2CC2 269862a_100000210453_100000741477 [0,1,0,1,0,0|2,0,0]=4 27909 B13R2.2382 c1cncc(c1)CNCC2CC2 270004a_100000735609_100000209961 [0,1,0,1,0,0|2,0,0]=4 27910 B13R2.2382 c1cncc(c1)CNCC2CC2 34a_100000735609_100000733263 [0,1,0,1,0,0|2,0,0]=4 27911 B13R2.2382 c1cncc(c1)COCC2CC2 34a_100000211283_100000733263 [0,1,0,1,0,0|2,0,0]=4 27912 B13R2.2382 c1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000733263 [0,1,0,1,0,0|2,0,0]=4 27913 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000741622_100000742324 [0,1,0,1,0,0|2,0,0]=4 27914 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000756562_100000741622 [0,1,0,1,0,0|2,0,0]=4 27915 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_100000741622_102125554688 [0,1,0,1,0,0|2,0,0]=4 27916 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_102125554688_100000741622 [0,1,0,1,0,0|2,0,0]=4 27917 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000031435_100000741622 [0,1,0,1,0,0|2,0,0]=4 27918 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000741622_100000031435 [0,1,0,1,0,0|2,0,0]=4 27919 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000741622_100000745022 [0,1,0,1,0,0|2,0,0]=4 27920 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000741622 [0,1,0,1,0,0|2,0,0]=4 27921 B13R2.2382 c1cncc(c1)OCCC2CC2 34a_100000210849_100000694398 [0,1,0,1,0,0|2,0,0]=4 27922 B13R2.2382 c1cncc(c1)OCCC2CC2 7a_100000210849_100000764125 [0,1,0,1,0,0|2,0,0]=4 27923 B13R2.2382 c1cncc(c1)OCCC2CO2 34a_100000210849_100000732470 [0,1,0,1,0,0|2,0,0]=4 27924 B13R2.2382 c1cncc(c1)OCCC2CO2 7a_100000210849_100000732470 [0,1,0,1,0,0|2,0,0]=4 27925 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000210063_100000764125 [0,1,0,1,0,0|2,0,0]=4 27926 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000764125_100000210063 [0,1,0,1,0,0|2,0,0]=4 27927 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000210063_100000732470 [0,1,0,1,0,0|2,0,0]=4 27928 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000732470_100000210063 [0,1,0,1,0,0|2,0,0]=4 27929 B13R2.2383 c1cc(ccn1)CCN2CCC2 269982a_100000754969_100000723409 [0,1,0,1,0,0|2,0,0]=4 27930 B13R2.2383 c1cc(ccn1)CNC2CCC2 2230a_100000749019_100015193705 [0,1,0,1,0,0|2,0,0]=4 27931 B13R2.2383 c1cc(ccn1)CSC2CCC2 62a_100015193705_100000749161 [0,1,0,1,0,0|2,0,0]=4 27932 B13R2.2383 c1cc(ccn1)OCC2CCC2 34a_100000212176_100000763275 [0,1,0,1,0,0|2,0,0]=4 27933 B13R2.2383 c1cc(ccn1)OCC2CCO2 34a_100000212176_100000103362 [0,1,0,1,0,0|2,0,0]=4 27934 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000728582_100000763275 [0,1,0,1,0,0|2,0,0]=4 27935 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000763275_100000728582 [0,1,0,1,0,0|2,0,0]=4 27936 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000103362_100000728582 [0,1,0,1,0,0|2,0,0]=4 27937 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000728582_100000103362 [0,1,0,1,0,0|2,0,0]=4 27938 B13R2.2383 c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000765856 [0,1,0,1,0,0|1,0,0]=3 27939 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,1,0,1,0,0|1,0,0]=3 27940 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,1,0,1,0,0|1,0,0]=3 27941 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,1,0,1,0,0|1,0,0]=3 27942 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,1,0,1,0,0|1,0,0]=3 27943 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,1,0,1,0,0|2,0,0]=4 27944 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,1,0,1,0,0|2,0,0]=4 27945 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,1,0,1,0,0|2,0,0]=4 27946 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,1,0,1,0,0|2,0,0]=4 27947 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,1,0,1,0,0|2,0,0]=4 27948 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,1,0,1,0,0|2,0,0]=4 27949 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,1,0,1,0,0|1,0,0]=3 27950 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,1,0,1,0,0|1,0,0]=3 27951 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,1,0,1,0,0|2,0,0]=4 27952 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,1,0,1,0,0|2,0,0]=4 27953 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,1,0,1,0,0|2,0,0]=4 27954 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,1,0,1,0,0|1,0,0]=3 27955 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,1,0,1,0,0|2,0,0]=4 27956 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,1,0,1,0,0|1,0,0]=3 27957 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,1,0,1,0,0|1,0,0]=3 27958 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,1,0,1,0,0|2,0,0]=4 27959 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,1,0,1,0,0|1,0,0]=3 27960 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,1,0,1,0,0|1,0,0]=3 27961 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,1,0,1,0,0|1,0,0]=3 27962 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,1,0,1,0,0|1,0,0]=3 27963 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,1,0,1,0,0|2,0,0]=4 27964 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,1,0,1,0,0|2,0,0]=4 27965 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,1,0,1,0,0|1,0,0]=3 27966 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,1,0,1,0,0|1,0,0]=3 27967 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,1,0,1,0,0|1,0,0]=3 27968 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,1,0,1,0,0|1,0,0]=3 27969 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,1,0,1,0,0|2,0,0]=4 27970 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,1,0,1,0,0|2,0,0]=4 27971 B13R2.2383 c1ccc(cc1)SCN2CCC2 269982a_100000754969_100011218342 [0,1,0,1,0,0|2,0,0]=4 27972 B13R2.2383 c1ccc(nc1)CCN2CCC2 269982a_100000754969_100015183660 [0,1,0,1,0,0|2,0,0]=4 27973 B13R2.2383 c1ccc(nc1)CNC2CCC2 2230a_100000749019_100000721315 [0,1,0,1,0,0|2,0,0]=4 27974 B13R2.2383 c1ccc(nc1)CNC2CCC2 270004a_100000210449_100000241760 [0,1,0,1,0,0|2,0,0]=4 27975 B13R2.2383 c1ccc(nc1)CNC2CCC2 34a_100000749019_100000721315 [0,1,0,1,0,0|2,0,0]=4 27976 B13R2.2383 c1ccc(nc1)COC2CCC2 34a_100000748187_100000721315 [0,1,0,1,0,0|2,0,0]=4 27977 B13R2.2383 c1ccc(nc1)CSC2CCC2 62a_100000721315_100000749161 [0,1,0,1,0,0|2,0,0]=4 27978 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100000763275_100011216584 [0,1,0,1,0,0|2,0,0]=4 27979 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100011216584_100000763275 [0,1,0,1,0,0|2,0,0]=4 27980 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100000103362_100011216584 [0,1,0,1,0,0|2,0,0]=4 27981 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100011216584_100000103362 [0,1,0,1,0,0|2,0,0]=4 27982 B13R2.2383 c1cncc(c1)CCN2CCC2 269982a_100000754969_200011713674 [0,1,0,1,0,0|2,0,0]=4 27983 B13R2.2383 c1cncc(c1)CNC2CCC2 2230a_100000749019_100000741622 [0,1,0,1,0,0|2,0,0]=4 27984 B13R2.2383 c1cncc(c1)CNC2CCC2 270004a_100000210453_100000241760 [0,1,0,1,0,0|2,0,0]=4 27985 B13R2.2383 c1cncc(c1)CNC2CCC2 34a_100000749019_100000733263 [0,1,0,1,0,0|2,0,0]=4 27986 B13R2.2383 c1cncc(c1)COC2CCC2 34a_100000748187_100000733263 [0,1,0,1,0,0|2,0,0]=4 27987 B13R2.2383 c1cncc(c1)CSC2CCC2 62a_100000741622_100000749161 [0,1,0,1,0,0|2,0,0]=4 27988 B13R2.2383 c1cncc(c1)OCC2CCC2 34a_100000210849_100000763275 [0,1,0,1,0,0|2,0,0]=4 27989 B13R2.2383 c1cncc(c1)OCC2CCC2 7a_100000210849_100000763275 [0,1,0,1,0,0|2,0,0]=4 27990 B13R2.2383 c1cncc(c1)OCC2CCO2 34a_100000210849_100000103362 [0,1,0,1,0,0|2,0,0]=4 27991 B13R2.2383 c1cncc(c1)OCC2CCO2 7a_100000210849_100000103362 [0,1,0,1,0,0|2,0,0]=4 27992 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000210063_100000763275 [0,1,0,1,0,0|2,0,0]=4 27993 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000763275_100000210063 [0,1,0,1,0,0|2,0,0]=4 27994 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000103362_100000210063 [0,1,0,1,0,0|2,0,0]=4 27995 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000210063_100000103362 [0,1,0,1,0,0|2,0,0]=4 27996 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 27997 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 27998 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 27999 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 28000 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 28001 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 28002 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 28003 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 28004 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 28005 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 28006 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 28007 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 28008 B13R2.33 CN1CCc2ccccc2CC1 2230a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 28009 B13R2.33 CN1CCc2ccccc2CC1 269982a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 28010 B13R2.33 CN1CCc2ccccc2CC1 34a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 28011 B13R2.33 [13CH3]N1CCc2ccccc2CC1 2230a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 28012 B13R2.33 [13CH3]N1CCc2ccccc2CC1 269982a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 28013 B13R2.33 [13CH3]N1CCc2ccccc2CC1 34a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 28014 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,1,0,0|2,0,0]=4 28015 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,1,0,0|2,0,0]=4 28016 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,1,0,0|2,0,0]=4 28017 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 28018 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,1,0,1,0,0|2,0,0]=4 28019 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 28020 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,1,0,1,0,0|2,0,0]=4 28021 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,1,0,1,0,0|2,0,0]=4 28022 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,1,0,1,0,0|2,0,0]=4 28023 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 28024 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 28025 B13R2.57 FCN1CCc2ccccc2C1 269982a_100000188457_100015361967 [0,1,0,1,0,0|2,0,0]=4 28026 B13R2.57 FCN1CCc2ccccc2C1 34a_100000188457_100015361967 [0,1,0,1,0,0|2,0,0]=4 28027 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,1,0,1,0,0|2,0,0]=4 28028 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,1,0,1,0,0|2,0,0]=4 28029 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 28030 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 28031 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,1,0,1,0,0|2,0,0]=4 28032 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,1,0,1,0,0|2,0,0]=4 28033 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,1,0,1,0,0|2,0,0]=4 28034 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,1,0,1,0,0|2,0,0]=4 28035 B13R2.3203 CC1(CC1)NCc2ccccc2 207a_100000757604_100015611070 [0,1,0,1,0,0|2,0,0]=4 28036 B13R2.3203 CC1(CC1)NCc2ccccc2 2230a_100000757604_100015291786 [0,1,0,1,0,0|2,0,0]=4 28037 B13R2.3203 CC1(CC1)OCc2ccccc2 7a_100011725673_100000211182 [0,1,0,1,0,0|2,0,0]=4 28038 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [0,1,0,1,0,0|2,0,0]=4 28039 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,1,0,1,0,0|2,0,0]=4 28040 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [0,1,0,1,0,0|2,0,0]=4 28041 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [0,1,0,1,0,0|2,0,0]=4 28042 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,1,0,1,0,0|1,0,1]=4 28043 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,1,0,1,0,0|2,0,0]=4 28044 B13R2.15272 O=C(CF)C1Cc2c1cccc2 1458a_200000238571_100015361967 [0,1,0,1,0,0|1,0,1]=4 28045 B13R2.13 Brc1cccc(c1)C2=CCCC2 271570a_100000089523_100000691529 [0,1,0,1,0,0|1,0,1]=4 28046 B13R2.13 Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100011215228 [0,1,0,1,0,0|1,0,1]=4 28047 B13R2.13 Clc1cccc(c1)C2=CCCC2 271570a_100000089523_100000699651 [0,1,0,1,0,0|1,0,1]=4 28048 B13R2.13 Fc1cccc(c1)C2=CCCC2 271570a_100000089523_100000685547 [0,1,0,1,0,0|1,0,1]=4 28049 B13R2.13 Nc1cccc(c1)C2=CCCC2 271570a_100000089523_100000210019 [0,1,0,1,0,0|1,0,1]=4 28050 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_100000089523_100000211634 [0,1,0,1,0,0|1,0,1]=4 28051 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_203496583355_200010203063 [0,1,0,1,0,0|1,0,1]=4 28052 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,1,0,1,0,0|0,0,0]=2 28053 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [0,1,0,1,0,0|2,0,0]=4 28054 B13R2.13 Oc1cccc(c1)N2CCCC2 271570a_203496583355_100020633440 [0,1,0,1,0,0|2,0,0]=4 28055 B13R2.13 Oc1cncc(c1)C2CCCN2 271570a_203496583355_100012340264 [0,1,0,1,0,0|1,0,0]=3 28056 B13R2.13 [S]c1cccc(c1)C2=CCCC2 271570a_100000089523_114929384022 [0,1,0,1,0,0|1,0,1]=4 28057 B13R2.662 CNC1CCc2c1ccc(c2)Br 2230a_100000744021_200000210301 [0,1,0,1,0,0|2,0,0]=4 28058 B13R2.662 CNC1CCc2c1ccc(c2)Br 269862a_106832991636_100000737041 [0,1,0,1,0,0|2,0,0]=4 28059 B13R2.662 CNC1CCc2c1ccc(c2)Br 34a_100000744021_200000210301 [0,1,0,1,0,0|2,0,0]=4 28060 B13R2.662 CNC1CCc2c1ccc(c2)C 2230a_200000746848_200000210301 [0,1,0,1,0,0|2,0,0]=4 28061 B13R2.662 CNC1CCc2c1ccc(c2)C 269862a_106832991636_100000743249 [0,1,0,1,0,0|2,0,0]=4 28062 B13R2.662 CNC1CCc2c1ccc(c2)C 34a_200000746848_200000210301 [0,1,0,1,0,0|2,0,0]=4 28063 B13R2.662 CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_200000210301 [0,1,0,1,0,0|2,0,0]=4 28064 B13R2.662 CNC1CCc2c1ccc(c2)Cl 269862a_106832991636_100000751102 [0,1,0,1,0,0|2,0,0]=4 28065 B13R2.662 CNC1CCc2c1ccc(c2)Cl 34a_100000743821_200000210301 [0,1,0,1,0,0|2,0,0]=4 28066 B13R2.662 CNC1CCc2c1ccc(c2)F 269862a_106832991636_100000035798 [0,1,0,1,0,0|2,0,0]=4 28067 B13R2.662 CNC1CCc2c1ccc(c2)I 269862a_106832991636_100000049573 [0,1,0,1,0,0|2,0,0]=4 28068 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200000210301 [0,1,0,1,0,0|2,0,0]=4 28069 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200000210301 [0,1,0,1,0,0|2,0,0]=4 28070 B13R2.662 COC1CCc2c1ccc(c2)Br 34a_100000747877_200000210301 [0,1,0,1,0,0|2,0,0]=4 28071 B13R2.662 COC1CCc2c1ccc(c2)Br 7a_100000747877_200000210301 [0,1,0,1,0,0|2,0,0]=4 28072 B13R2.662 COC1CCc2c1ccc(c2)C 34a_100000103036_200000210301 [0,1,0,1,0,0|2,0,0]=4 28073 B13R2.662 COC1CCc2c1ccc(c2)C 7a_100000103036_200000210301 [0,1,0,1,0,0|2,0,0]=4 28074 B13R2.662 COC1CCc2c1ccc(c2)Cl 34a_100012002497_200000210301 [0,1,0,1,0,0|2,0,0]=4 28075 B13R2.662 COC1CCc2c1ccc(c2)Cl 7a_100012002497_200000210301 [0,1,0,1,0,0|2,0,0]=4 28076 B13R2.662 COC1CCc2c1ccc(c2)F 34a_100012002498_200000210301 [0,1,0,1,0,0|2,0,0]=4 28077 B13R2.662 COC1CCc2c1ccc(c2)F 7a_100012002498_200000210301 [0,1,0,1,0,0|2,0,0]=4 28078 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 2230a_200000746848_200025704644 [0,1,0,1,0,0|2,0,0]=4 28079 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 34a_200000746848_200025704644 [0,1,0,1,0,0|2,0,0]=4 28080 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 34a_100000103036_200025704644 [0,1,0,1,0,0|2,0,0]=4 28081 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 7a_100000103036_200025704644 [0,1,0,1,0,0|2,0,0]=4 28082 B13R2.662 N#CC1CCc2c1ccc(c2)O 271570a_203496583355_200012360267 [0,1,0,1,0,0|0,0,2]=4 28083 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 2230a_100000744021_200025704644 [0,1,0,1,0,0|2,0,0]=4 28084 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 34a_100000744021_200025704644 [0,1,0,1,0,0|2,0,0]=4 28085 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 2230a_100000743821_200025704644 [0,1,0,1,0,0|2,0,0]=4 28086 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 34a_100000743821_200025704644 [0,1,0,1,0,0|2,0,0]=4 28087 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200025704644 [0,1,0,1,0,0|2,0,0]=4 28088 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200025704644 [0,1,0,1,0,0|2,0,0]=4 28089 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 34a_100000747877_200025704644 [0,1,0,1,0,0|2,0,0]=4 28090 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 7a_100000747877_200025704644 [0,1,0,1,0,0|2,0,0]=4 28091 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 34a_100012002497_200025704644 [0,1,0,1,0,0|2,0,0]=4 28092 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 7a_100012002497_200025704644 [0,1,0,1,0,0|2,0,0]=4 28093 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 34a_100012002498_200025704644 [0,1,0,1,0,0|2,0,0]=4 28094 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 7a_100012002498_200025704644 [0,1,0,1,0,0|2,0,0]=4 28095 B13R2.2091 CNC1CCc2c1c(ccc2)Br 2230a_100103168669_200000210301 [0,1,0,1,0,0|2,0,0]=4 28096 B13R2.2091 CNC1CCc2c1c(ccc2)Br 34a_100103168669_200000210301 [0,1,0,1,0,0|2,0,0]=4 28097 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 2230a_100103168669_200025704644 [0,1,0,1,0,0|2,0,0]=4 28098 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 34a_100103168669_200025704644 [0,1,0,1,0,0|2,0,0]=4 28099 B13R2.3021 Brc1cccc(c1)CN2CCC2 269982a_100000754969_100000211773 [0,1,0,1,0,0|2,0,0]=4 28100 B13R2.3021 Brc1cccc(c1)CN2CCC2 26a_100000754969_100000210342 [0,1,0,1,0,0|2,0,0]=4 28101 B13R2.3021 Brc1cccc(c1)NC2CCC2 34a_100000210019_100000749161 [0,1,0,1,0,0|2,0,0]=4 28102 B13R2.3021 Brc1cccc(c1)OC2CCC2 34a_100000210342_100000749161 [0,1,0,1,0,0|2,0,0]=4 28103 B13R2.3021 Brc1cccc(c1)SC2CCC2 62a_100000691529_100000749161 [0,1,0,1,0,0|2,0,0]=4 28104 B13R2.3021 Cc1cccc(c1)CN2CCC2 269982a_100000754969_100000211840 [0,1,0,1,0,0|2,0,0]=4 28105 B13R2.3021 Cc1cccc(c1)NC2CCC2 34a_100000188690_100000749161 [0,1,0,1,0,0|2,0,0]=4 28106 B13R2.3021 Cc1cccc(c1)OC2CCC2 34a_100000210337_100000749161 [0,1,0,1,0,0|2,0,0]=4 28107 B13R2.3021 Cc1cccc(c1)SC2CCC2 62a_100011215228_100000749161 [0,1,0,1,0,0|2,0,0]=4 28108 B13R2.3021 Clc1cccc(c1)CN2CCC2 269982a_100000754969_100000181238 [0,1,0,1,0,0|2,0,0]=4 28109 B13R2.3021 Clc1cccc(c1)NC2CCC2 34a_100000185859_100000749161 [0,1,0,1,0,0|2,0,0]=4 28110 B13R2.3021 Clc1cccc(c1)OC2CCC2 34a_100000210295_100000749161 [0,1,0,1,0,0|2,0,0]=4 28111 B13R2.3021 Clc1cccc(c1)SC2CCC2 62a_100000699651_100000749161 [0,1,0,1,0,0|2,0,0]=4 28112 B13R2.3021 Fc1cccc(c1)CN2CCC2 269982a_100000754969_100000230114 [0,1,0,1,0,0|2,0,0]=4 28113 B13R2.3021 Fc1cccc(c1)NC2CCC2 34a_100000210047_100000749161 [0,1,0,1,0,0|2,0,0]=4 28114 B13R2.3021 Fc1cccc(c1)OC2CCC2 34a_100000210426_100000749161 [0,1,0,1,0,0|2,0,0]=4 28115 B13R2.3021 Fc1cccc(c1)SC2CCC2 62a_100000685547_100000749161 [0,1,0,1,0,0|2,0,0]=4 28116 B13R2.3021 Ic1cccc(c1)CN2CCC2 269982a_100000754969_100011218688 [0,1,0,1,0,0|2,0,0]=4 28117 B13R2.3021 Ic1cccc(c1)NC2CCC2 34a_100000211102_100000749161 [0,1,0,1,0,0|2,0,0]=4 28118 B13R2.3021 Ic1cccc(c1)OC2CCC2 34a_100000211634_100000749161 [0,1,0,1,0,0|2,0,0]=4 28119 B13R2.3021 Nc1cccc(c1)OC2CCC2 34a_100000210217_100000749161 [0,1,0,1,0,0|2,0,0]=4 28120 B13R2.3021 Nc1cccc(c1)SC2CCC2 62a_100000210019_100000749161 [0,1,0,1,0,0|2,0,0]=4 28121 B13R2.3021 Oc1cccc(c1)CN2CCC2 269982a_100000754969_100000084143 [0,1,0,1,0,0|2,0,0]=4 28122 B13R2.3021 Oc1cccc(c1)NC2CCC2 34a_100000210217_100000749161 [0,1,0,1,0,0|2,0,0]=4 28123 B13R2.3021 Oc1cccc(c1)OC2CCC2 271570a_203496583355_200010986888 [0,1,0,1,0,0|2,0,0]=4 28124 B13R2.3021 [S]c1cccc(c1)SC2CCC2 62a_114929384022_100000749161 [0,1,0,1,0,0|2,0,0]=4 28125 B13R2.4818 O=C1CCCc2c1c(ccc2)O 271570a_203496583355_100009816782 [0,1,0,1,0,0|1,0,1]=4 28126 B13R2.5179 N[C@@H]1CCOc2c1ccc(c2)O 271570a_203496583355_100020639266 [0,1,0,1,0,0|1,0,0]=3 28127 B13R2.5179 N[C@H]1CCCc2c1ccc(c2)O 271570a_203496583355_100160469487 [0,1,0,1,0,0|0,0,0]=2 28128 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [0,1,0,1,0,0|1,0,1]=4 28129 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,1,0,1,0,0|2,0,0]=4 28130 B13R2.5331 Brc1cccc(c1)CNC2CC2 34a_100000174977_100000211595 [0,1,0,1,0,0|2,0,0]=4 28131 B13R2.5331 Brc1cccc(c1)CNC2CC2 34a_100000212008_100000698116 [0,1,0,1,0,0|2,0,0]=4 28132 B13R2.5331 Brc1cccc(c1)COC2CC2 34a_100000687537_100000211595 [0,1,0,1,0,0|2,0,0]=4 28133 B13R2.5331 Brc1cccc(c1)CSC2CC2 62a_100000211773_100000211595 [0,1,0,1,0,0|2,0,0]=4 28134 B13R2.5331 Brc1cccc(c1)NCC2CC2 34a_100000210019_100000742324 [0,1,0,1,0,0|2,0,0]=4 28135 B13R2.5331 Brc1cccc(c1)NCC2CO2 34a_100000210019_102125554688 [0,1,0,1,0,0|2,0,0]=4 28136 B13R2.5331 Brc1cccc(c1)OCC2CC2 34a_100000210342_100000742324 [0,1,0,1,0,0|2,0,0]=4 28137 B13R2.5331 Brc1cccc(c1)OCC2CC2 7a_100000210342_100000742324 [0,1,0,1,0,0|2,0,0]=4 28138 B13R2.5331 Brc1cccc(c1)OCC2CO2 34a_100000210342_102125554688 [0,1,0,1,0,0|2,0,0]=4 28139 B13R2.5331 Brc1cccc(c1)OCC2CO2 7a_100000210342_102125554688 [0,1,0,1,0,0|2,0,0]=4 28140 B13R2.5331 Brc1cccc(c1)OCC2CS2 7a_100000210342_100000031435 [0,1,0,1,0,0|2,0,0]=4 28141 B13R2.5331 Brc1cccc(c1)OC[C@@H]2CO2 7a_100000210342_100000745022 [0,1,0,1,0,0|2,0,0]=4 28142 B13R2.5331 Brc1cccc(c1)SCC2CC2 62a_100000691529_100000742324 [0,1,0,1,0,0|2,0,0]=4 28143 B13R2.5331 Brc1cccc(c1)SCC2CC2 62a_100000756562_100000691529 [0,1,0,1,0,0|2,0,0]=4 28144 B13R2.5331 Brc1cccc(c1)SCC2CO2 62a_100000691529_102125554688 [0,1,0,1,0,0|2,0,0]=4 28145 B13R2.5331 Brc1cccc(c1)SCC2CO2 62a_102125554688_100000691529 [0,1,0,1,0,0|2,0,0]=4 28146 B13R2.5331 Brc1cccc(c1)SCC2CS2 62a_100000031435_100000691529 [0,1,0,1,0,0|2,0,0]=4 28147 B13R2.5331 Brc1cccc(c1)SCC2CS2 62a_100000691529_100000031435 [0,1,0,1,0,0|2,0,0]=4 28148 B13R2.5331 Brc1cccc(c1)SC[C@@H]2CO2 62a_100000691529_100000745022 [0,1,0,1,0,0|2,0,0]=4 28149 B13R2.5331 Brc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000691529 [0,1,0,1,0,0|2,0,0]=4 28150 B13R2.5331 Cc1cccc(c1)CNC2CC2 34a_100000185548_100000211595 [0,1,0,1,0,0|2,0,0]=4 28151 B13R2.5331 Cc1cccc(c1)CNC2CC2 34a_100000212008_100000211840 [0,1,0,1,0,0|2,0,0]=4 28152 B13R2.5331 Cc1cccc(c1)COC2CC2 34a_100011217746_100000211595 [0,1,0,1,0,0|2,0,0]=4 28153 B13R2.5331 Cc1cccc(c1)CSC2CC2 62a_100000211840_100000211595 [0,1,0,1,0,0|2,0,0]=4 28154 B13R2.5331 Cc1cccc(c1)NCC2CC2 2230a_100000188690_100000742324 [0,1,0,1,0,0|2,0,0]=4 28155 B13R2.5331 Cc1cccc(c1)NCC2CC2 34a_100000188690_100000742324 [0,1,0,1,0,0|2,0,0]=4 28156 B13R2.5331 Cc1cccc(c1)NCC2CO2 2230a_100000188690_100011216344 [0,1,0,1,0,0|2,0,0]=4 28157 B13R2.5331 Cc1cccc(c1)NCC2CO2 34a_100000188690_102125554688 [0,1,0,1,0,0|2,0,0]=4 28158 B13R2.5331 Cc1cccc(c1)OCC2CC2 34a_100000210337_100000742324 [0,1,0,1,0,0|2,0,0]=4 28159 B13R2.5331 Cc1cccc(c1)OCC2CC2 7a_100000210337_100000742324 [0,1,0,1,0,0|2,0,0]=4 28160 B13R2.5331 Cc1cccc(c1)OCC2CO2 34a_100000210337_102125554688 [0,1,0,1,0,0|2,0,0]=4 28161 B13R2.5331 Cc1cccc(c1)OCC2CO2 7a_100000210337_102125554688 [0,1,0,1,0,0|2,0,0]=4 28162 B13R2.5331 Cc1cccc(c1)OCC2CS2 7a_100000210337_100000031435 [0,1,0,1,0,0|2,0,0]=4 28163 B13R2.5331 Cc1cccc(c1)OC[C@@H]2CO2 7a_100000210337_100000745022 [0,1,0,1,0,0|2,0,0]=4 28164 B13R2.5331 Cc1cccc(c1)SCC2CC2 62a_100000756562_100011215228 [0,1,0,1,0,0|2,0,0]=4 28165 B13R2.5331 Cc1cccc(c1)SCC2CC2 62a_100011215228_100000742324 [0,1,0,1,0,0|2,0,0]=4 28166 B13R2.5331 Cc1cccc(c1)SCC2CO2 62a_100011215228_102125554688 [0,1,0,1,0,0|2,0,0]=4 28167 B13R2.5331 Cc1cccc(c1)SCC2CO2 62a_102125554688_100011215228 [0,1,0,1,0,0|2,0,0]=4 28168 B13R2.5331 Cc1cccc(c1)SCC2CS2 62a_100000031435_100011215228 [0,1,0,1,0,0|2,0,0]=4 28169 B13R2.5331 Cc1cccc(c1)SCC2CS2 62a_100011215228_100000031435 [0,1,0,1,0,0|2,0,0]=4 28170 B13R2.5331 Cc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100011215228 [0,1,0,1,0,0|2,0,0]=4 28171 B13R2.5331 Cc1cccc(c1)SC[C@@H]2CO2 62a_100011215228_100000745022 [0,1,0,1,0,0|2,0,0]=4 28172 B13R2.5331 Clc1cccc(c1)CNC2CC2 34a_100000174878_100000211595 [0,1,0,1,0,0|2,0,0]=4 28173 B13R2.5331 Clc1cccc(c1)CNC2CC2 34a_100000212008_100000187163 [0,1,0,1,0,0|2,0,0]=4 28174 B13R2.5331 Clc1cccc(c1)COC2CC2 34a_100000241301_100000211595 [0,1,0,1,0,0|2,0,0]=4 28175 B13R2.5331 Clc1cccc(c1)CSC2CC2 62a_100000187163_100000211595 [0,1,0,1,0,0|2,0,0]=4 28176 B13R2.5331 Clc1cccc(c1)NCC2CC2 34a_100000185859_100000742324 [0,1,0,1,0,0|2,0,0]=4 28177 B13R2.5331 Clc1cccc(c1)NCC2CO2 34a_100000185859_102125554688 [0,1,0,1,0,0|2,0,0]=4 28178 B13R2.5331 Clc1cccc(c1)OCC2CC2 34a_100000210295_100000742324 [0,1,0,1,0,0|2,0,0]=4 28179 B13R2.5331 Clc1cccc(c1)OCC2CC2 7a_100000210295_100000742324 [0,1,0,1,0,0|2,0,0]=4 28180 B13R2.5331 Clc1cccc(c1)OCC2CO2 34a_100000210295_102125554688 [0,1,0,1,0,0|2,0,0]=4 28181 B13R2.5331 Clc1cccc(c1)OCC2CO2 7a_100000210295_102125554688 [0,1,0,1,0,0|2,0,0]=4 28182 B13R2.5331 Clc1cccc(c1)OCC2CS2 7a_100000210295_100000031435 [0,1,0,1,0,0|2,0,0]=4 28183 B13R2.5331 Clc1cccc(c1)OC[C@@H]2CO2 7a_100000210295_100000745022 [0,1,0,1,0,0|2,0,0]=4 28184 B13R2.5331 Clc1cccc(c1)SCC2CC2 62a_100000699651_100000742324 [0,1,0,1,0,0|2,0,0]=4 28185 B13R2.5331 Clc1cccc(c1)SCC2CC2 62a_100000756562_100000699651 [0,1,0,1,0,0|2,0,0]=4 28186 B13R2.5331 Clc1cccc(c1)SCC2CO2 62a_100000699651_102125554688 [0,1,0,1,0,0|2,0,0]=4 28187 B13R2.5331 Clc1cccc(c1)SCC2CO2 62a_102125554688_100000699651 [0,1,0,1,0,0|2,0,0]=4 28188 B13R2.5331 Clc1cccc(c1)SCC2CS2 62a_100000031435_100000699651 [0,1,0,1,0,0|2,0,0]=4 28189 B13R2.5331 Clc1cccc(c1)SCC2CS2 62a_100000699651_100000031435 [0,1,0,1,0,0|2,0,0]=4 28190 B13R2.5331 Clc1cccc(c1)SC[C@@H]2CO2 62a_100000699651_100000745022 [0,1,0,1,0,0|2,0,0]=4 28191 B13R2.5331 Clc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000699651 [0,1,0,1,0,0|2,0,0]=4 28192 B13R2.5331 Fc1cccc(c1)CNC2CC2 34a_100000174948_100000211595 [0,1,0,1,0,0|2,0,0]=4 28193 B13R2.5331 Fc1cccc(c1)CNC2CC2 34a_100000212008_100000187166 [0,1,0,1,0,0|2,0,0]=4 28194 B13R2.5331 Fc1cccc(c1)COC2CC2 34a_100000210976_100000211595 [0,1,0,1,0,0|2,0,0]=4 28195 B13R2.5331 Fc1cccc(c1)CSC2CC2 62a_100000230114_100000211595 [0,1,0,1,0,0|2,0,0]=4 28196 B13R2.5331 Fc1cccc(c1)NCC2CC2 34a_100000210047_100000742324 [0,1,0,1,0,0|2,0,0]=4 28197 B13R2.5331 Fc1cccc(c1)NCC2CO2 34a_100000210047_102125554688 [0,1,0,1,0,0|2,0,0]=4 28198 B13R2.5331 Fc1cccc(c1)OCC2CC2 34a_100000210426_100000742324 [0,1,0,1,0,0|2,0,0]=4 28199 B13R2.5331 Fc1cccc(c1)OCC2CC2 7a_100000210426_100000742324 [0,1,0,1,0,0|2,0,0]=4 28200 B13R2.5331 Fc1cccc(c1)OCC2CO2 34a_100000210426_102125554688 [0,1,0,1,0,0|2,0,0]=4 28201 B13R2.5331 Fc1cccc(c1)OCC2CO2 7a_100000210426_102125554688 [0,1,0,1,0,0|2,0,0]=4 28202 B13R2.5331 Fc1cccc(c1)OCC2CS2 7a_100000210426_100000031435 [0,1,0,1,0,0|2,0,0]=4 28203 B13R2.5331 Fc1cccc(c1)OC[C@@H]2CO2 7a_100000210426_100000745022 [0,1,0,1,0,0|2,0,0]=4 28204 B13R2.5331 Fc1cccc(c1)SCC2CC2 62a_100000685547_100000742324 [0,1,0,1,0,0|2,0,0]=4 28205 B13R2.5331 Fc1cccc(c1)SCC2CC2 62a_100000756562_100000685547 [0,1,0,1,0,0|2,0,0]=4 28206 B13R2.5331 Fc1cccc(c1)SCC2CO2 62a_100000685547_102125554688 [0,1,0,1,0,0|2,0,0]=4 28207 B13R2.5331 Fc1cccc(c1)SCC2CO2 62a_102125554688_100000685547 [0,1,0,1,0,0|2,0,0]=4 28208 B13R2.5331 Fc1cccc(c1)SCC2CS2 62a_100000031435_100000685547 [0,1,0,1,0,0|2,0,0]=4 28209 B13R2.5331 Fc1cccc(c1)SCC2CS2 62a_100000685547_100000031435 [0,1,0,1,0,0|2,0,0]=4 28210 B13R2.5331 Fc1cccc(c1)SC[C@@H]2CO2 62a_100000685547_100000745022 [0,1,0,1,0,0|2,0,0]=4 28211 B13R2.5331 Fc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000685547 [0,1,0,1,0,0|2,0,0]=4 28212 B13R2.5331 Ic1cccc(c1)CNC2CC2 34a_100000106179_100000211595 [0,1,0,1,0,0|2,0,0]=4 28213 B13R2.5331 Ic1cccc(c1)CNC2CC2 34a_100000212008_100011218688 [0,1,0,1,0,0|2,0,0]=4 28214 B13R2.5331 Ic1cccc(c1)COC2CC2 34a_100011215336_100000211595 [0,1,0,1,0,0|2,0,0]=4 28215 B13R2.5331 Ic1cccc(c1)CSC2CC2 62a_100011218688_100000211595 [0,1,0,1,0,0|2,0,0]=4 28216 B13R2.5331 Ic1cccc(c1)NCC2CC2 34a_100000211102_100000742324 [0,1,0,1,0,0|2,0,0]=4 28217 B13R2.5331 Ic1cccc(c1)NCC2CO2 34a_100000211102_102125554688 [0,1,0,1,0,0|2,0,0]=4 28218 B13R2.5331 Ic1cccc(c1)OCC2CC2 34a_100000211634_100000742324 [0,1,0,1,0,0|2,0,0]=4 28219 B13R2.5331 Ic1cccc(c1)OCC2CC2 7a_100000211634_100000742324 [0,1,0,1,0,0|2,0,0]=4 28220 B13R2.5331 Ic1cccc(c1)OCC2CO2 34a_100000211634_102125554688 [0,1,0,1,0,0|2,0,0]=4 28221 B13R2.5331 Ic1cccc(c1)OCC2CO2 7a_100000211634_102125554688 [0,1,0,1,0,0|2,0,0]=4 28222 B13R2.5331 Ic1cccc(c1)OCC2CS2 7a_100000211634_100000031435 [0,1,0,1,0,0|2,0,0]=4 28223 B13R2.5331 Ic1cccc(c1)OC[C@@H]2CO2 7a_100000211634_100000745022 [0,1,0,1,0,0|2,0,0]=4 28224 B13R2.5331 Nc1cccc(c1)COC2CC2 34a_100000211919_100000211595 [0,1,0,1,0,0|2,0,0]=4 28225 B13R2.5331 Nc1cccc(c1)OCC2CC2 34a_100000210217_100000742324 [0,1,0,1,0,0|2,0,0]=4 28226 B13R2.5331 Nc1cccc(c1)OCC2CO2 34a_100000210217_102125554688 [0,1,0,1,0,0|2,0,0]=4 28227 B13R2.5331 Nc1cccc(c1)SCC2CC2 62a_100000210019_100000742324 [0,1,0,1,0,0|2,0,0]=4 28228 B13R2.5331 Nc1cccc(c1)SCC2CC2 62a_100000756562_100000210019 [0,1,0,1,0,0|2,0,0]=4 28229 B13R2.5331 Nc1cccc(c1)SCC2CO2 62a_100000210019_102125554688 [0,1,0,1,0,0|2,0,0]=4 28230 B13R2.5331 Nc1cccc(c1)SCC2CO2 62a_102125554688_100000210019 [0,1,0,1,0,0|2,0,0]=4 28231 B13R2.5331 Nc1cccc(c1)SCC2CS2 62a_100000031435_100000210019 [0,1,0,1,0,0|2,0,0]=4 28232 B13R2.5331 Nc1cccc(c1)SCC2CS2 62a_100000210019_100000031435 [0,1,0,1,0,0|2,0,0]=4 28233 B13R2.5331 Nc1cccc(c1)SC[C@@H]2CO2 62a_100000210019_100000745022 [0,1,0,1,0,0|2,0,0]=4 28234 B13R2.5331 Nc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000210019 [0,1,0,1,0,0|2,0,0]=4 28235 B13R2.5331 Oc1cccc(c1)CNC2CC2 271570a_203496583355_100000745908 [0,1,0,1,0,0|2,0,0]=4 28236 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000212008_100011660834 [0,1,0,1,0,0|2,0,0]=4 28237 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000743036_100000211595 [0,1,0,1,0,0|2,0,0]=4 28238 B13R2.5331 Oc1cccc(c1)CSC2CC2 62a_100011660834_100000211595 [0,1,0,1,0,0|2,0,0]=4 28239 B13R2.5331 Oc1cccc(c1)NCC2CC2 34a_100000210217_100000742324 [0,1,0,1,0,0|2,0,0]=4 28240 B13R2.5331 Oc1cccc(c1)NCC2CO2 34a_100000210217_102125554688 [0,1,0,1,0,0|2,0,0]=4 28241 B13R2.5331 Oc1cccc(c1)OCC2CC2 271570a_203496583355_100011316337 [0,1,0,1,0,0|2,0,0]=4 28242 B13R2.5331 Oc1cccc(c1)SCC2CC2 271570a_203496583355_200010212085 [0,1,0,1,0,0|2,0,0]=4 28243 B13R2.5331 Oc1cccc(c1)SCC2CC2 62a_100000756562_100000211634 [0,1,0,1,0,0|2,0,0]=4 28244 B13R2.5331 Oc1cccc(c1)SCC2CO2 62a_102125554688_100000211634 [0,1,0,1,0,0|2,0,0]=4 28245 B13R2.5331 Oc1cccc(c1)SCC2CS2 62a_100000031435_100000211634 [0,1,0,1,0,0|2,0,0]=4 28246 B13R2.5331 Oc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000211634 [0,1,0,1,0,0|2,0,0]=4 28247 B13R2.5331 [S]c1cccc(c1)SCC2CC2 62a_100000756562_114929384022 [0,1,0,1,0,0|2,0,0]=4 28248 B13R2.5331 [S]c1cccc(c1)SCC2CC2 62a_114929384022_100000742324 [0,1,0,1,0,0|2,0,0]=4 28249 B13R2.5331 [S]c1cccc(c1)SCC2CO2 62a_102125554688_114929384022 [0,1,0,1,0,0|2,0,0]=4 28250 B13R2.5331 [S]c1cccc(c1)SCC2CO2 62a_114929384022_102125554688 [0,1,0,1,0,0|2,0,0]=4 28251 B13R2.5331 [S]c1cccc(c1)SCC2CS2 62a_100000031435_114929384022 [0,1,0,1,0,0|2,0,0]=4 28252 B13R2.5331 [S]c1cccc(c1)SCC2CS2 62a_114929384022_100000031435 [0,1,0,1,0,0|2,0,0]=4 28253 B13R2.5331 [S]c1cccc(c1)SC[C@@H]2CO2 62a_100000745022_114929384022 [0,1,0,1,0,0|2,0,0]=4 28254 B13R2.5331 [S]c1cccc(c1)SC[C@@H]2CO2 62a_114929384022_100000745022 [0,1,0,1,0,0|2,0,0]=4 28255 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,1,0,1,0,0|2,0,0]=4 28256 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,1,0,1,0,0|2,0,0]=4 28257 B13R2.690 CN(CC1CC1)c2ccccc2 2230a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 28258 B13R2.690 CN(CC1CC1)c2ccccc2 269982a_100000210012_100000756562 [0,1,0,1,0,0|2,0,0]=4 28259 B13R2.690 CN(CC1CC1)c2ccccc2 34a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 28260 B13R2.690 CN(CC1CO1)c2ccccc2 2230a_100000210012_100011216344 [0,1,0,1,0,0|2,0,0]=4 28261 B13R2.690 CN(CC1CO1)c2ccccc2 269982a_100000210012_102125554688 [0,1,0,1,0,0|2,0,0]=4 28262 B13R2.690 CN(CC1CO1)c2ccccc2 34a_100000210012_102125554688 [0,1,0,1,0,0|2,0,0]=4 28263 B13R2.690 CN(CC1CS1)c2ccccc2 269982a_100000210012_100000031435 [0,1,0,1,0,0|2,0,0]=4 28264 B13R2.690 CN(C[C@@H]1CO1)c2ccccc2 269982a_100000210012_100000745022 [0,1,0,1,0,0|2,0,0]=4 28265 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,1,0,1,0,0|2,0,0]=4 28266 B13R2.690 O=C(CC1CC1)c2ccccc2 1458a_100000185807_100000742324 [0,1,0,1,0,0|1,0,1]=4 28267 B13R2.690 O=C(CC1CO1)c2ccccc2 1458a_100000185807_100011216344 [0,1,0,1,0,0|1,0,1]=4 28268 B13R2.690 O=C(CC1CS1)c2ccccc2 1458a_100000185807_100000031435 [0,1,0,1,0,0|1,0,1]=4 28269 B13R2.690 O=C(C[C@@H]1CO1)c2ccccc2 1458a_100000185807_100000745022 [0,1,0,1,0,0|1,0,1]=4 28270 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,1,0,1,0,0|2,0,0]=4 28271 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,1,0,1,0,0|2,0,0]=4 28272 B13R2.8137 CN(c1ccccc1)C2CCC2 269982a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 28273 B13R2.8137 CN(c1ccccc1)C2CCC2 34a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 28274 B13R2.8137 O=C(c1ccccc1)C2CCC2 1458a_100000185807_100000749161 [0,1,0,1,0,0|1,0,1]=4 28275 B13R2.26 CCCN1Cc2ccccc2C1 2230a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 28276 B13R2.26 CCCN1Cc2ccccc2C1 269982a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 28277 B13R2.26 CCCN1Cc2ccccc2C1 34a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 28278 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,1,0,1,0,0|2,0,0]=4 28279 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,1,0,1,0,0|2,0,0]=4 28280 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,1,0,1,0,0|2,0,0]=4 28281 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,1,0,1,0,0|2,0,0]=4 28282 B13R2.26 CCSC1Cc2ccccc2C1 62a_100000210202_100000753484 [0,1,0,1,0,0|2,0,0]=4 28283 B13R2.26 CNCC1Cc2ccccc2C1 2230a_100000757167_200000210301 [0,1,0,1,0,0|2,0,0]=4 28284 B13R2.26 CNCC1Cc2ccccc2C1 34a_100000757167_200000210301 [0,1,0,1,0,0|2,0,0]=4 28285 B13R2.26 CNCC1Cc2ccccc2O1 2230a_100015207006_200000210301 [0,1,0,1,0,0|2,0,0]=4 28286 B13R2.26 CNCC1Cc2ccccc2O1 34a_100015207006_200000210301 [0,1,0,1,0,0|2,0,0]=4 28287 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,1,0,1,0,0|2,0,0]=4 28288 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,1,0,1,0,0|2,0,0]=4 28289 B13R2.26 COC[C@@H]1Cc2ccccc2N1 34a_100011830367_200000210301 [0,1,0,1,0,0|2,0,0]=4 28290 B13R2.26 FCCN1Cc2ccccc2C1 2230a_100000752595_100011217306 [0,1,0,1,0,0|2,0,0]=4 28291 B13R2.26 FCCN1Cc2ccccc2C1 269982a_100000752595_100011217306 [0,1,0,1,0,0|2,0,0]=4 28292 B13R2.26 FCCN1Cc2ccccc2C1 34a_100000752595_100011217306 [0,1,0,1,0,0|2,0,0]=4 28293 B13R2.26 FCNC1Cc2ccccc2C1 34a_100000753258_100015361967 [0,1,0,1,0,0|2,0,0]=4 28294 B13R2.26 FCOC1Cc2ccccc2C1 34a_100011215286_100015361967 [0,1,0,1,0,0|2,0,0]=4 28295 B13R2.26 FCSC1Cc2ccccc2C1 62a_100015361967_100000753484 [0,1,0,1,0,0|2,0,0]=4 28296 B13R2.26 OCCN1Cc2ccccc2C1 2230a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 28297 B13R2.26 OCCN1Cc2ccccc2C1 269982a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 28298 B13R2.26 OCCN1Cc2ccccc2C1 34a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 28299 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 2230a_100000757167_200025704644 [0,1,0,1,0,0|2,0,0]=4 28300 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 34a_100000757167_200025704644 [0,1,0,1,0,0|2,0,0]=4 28301 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 2230a_100015207006_200025704644 [0,1,0,1,0,0|2,0,0]=4 28302 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 34a_100015207006_200025704644 [0,1,0,1,0,0|2,0,0]=4 28303 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,1,0,1,0,0|2,0,0]=4 28304 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,1,0,1,0,0|2,0,0]=4 28305 B13R2.26 [13CH3]OC[C@@H]1Cc2ccccc2N1 34a_100011830367_200025704644 [0,1,0,1,0,0|2,0,0]=4 28306 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [0,1,0,1,0,0|2,0,0]=4 28307 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [0,1,0,1,0,0|2,0,0]=4 28308 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [0,1,0,1,0,0|2,0,0]=4 28309 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [0,1,0,1,0,0|2,0,0]=4 28310 B13R2.31 FC1CN(C1)Cc2ccccc2 2230a_100000690557_100015291786 [0,1,0,1,0,0|2,0,0]=4 28311 B13R2.31 FC1CN(C1)Cc2ccccc2 269982a_100000690557_100000211182 [0,1,0,1,0,0|2,0,0]=4 28312 B13R2.31 FC1CN(C1)Cc2ccccc2 270004a_100000690557_100015611070 [0,1,0,1,0,0|2,0,0]=4 28313 B13R2.31 FC1CN(C1)Cc2ccccc2 34a_100000690557_100015291786 [0,1,0,1,0,0|2,0,0]=4 28314 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,1,0,1,0,0|2,0,0]=4 28315 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,1,0,0|2,0,0]=4 28316 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,1,0,0|2,0,0]=4 28317 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 28318 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 28319 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 28320 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 28321 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 28322 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 28323 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 28324 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 28325 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 28326 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 28327 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 28328 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 28329 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 28330 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 28331 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 28332 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 28333 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 28334 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 28335 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000226674_100015291786 [0,1,0,1,0,0|2,0,0]=4 28336 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 28337 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000186898_100000211595 [0,1,0,1,0,0|2,0,0]=4 28338 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000226674_100000211182 [0,1,0,1,0,0|2,0,0]=4 28339 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 28340 B13R2.444 CN(Cc1ccccc1)C2CC2 270004a_100000226674_100015611070 [0,1,0,1,0,0|2,0,0]=4 28341 B13R2.444 CN(Cc1ccccc1)C2CC2 34a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 28342 B13R2.444 O=C(Cc1ccccc1)C2CC2 1458a_100000210395_100015291786 [0,1,0,1,0,0|1,0,1]=4 28343 B13R2.444 O=C(Cc1ccccc1)C2CO2 1458a_100000701028_100015291786 [0,1,0,1,0,0|1,0,1]=4 28344 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 2230a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 28345 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 269982a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 28346 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 34a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 28347 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,1,0,1,0,0|1,0,1]=4 28348 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,1,0,1,0,0|2,0,0]=4 28349 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,1,0,1,0,0|2,0,0]=4 28350 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,1,0,1,0,0|1,0,1]=4 28351 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,1,0,1,0,0|1,0,1]=4 28352 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,1,0,1,0,0|1,0,1]=4 28353 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,1,0,1,0,0|2,0,0]=4 28354 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,1,0,1,0,0|2,0,0]=4 28355 B13R2.9 CNC1CCc2c1cccc2Br 2230a_100000751068_200000210301 [0,1,0,1,0,0|2,0,0]=4 28356 B13R2.9 CNC1CCc2c1cccc2Br 269862a_106832991636_100000744605 [0,1,0,1,0,0|2,0,0]=4 28357 B13R2.9 CNC1CCc2c1cccc2Br 34a_100000751068_200000210301 [0,1,0,1,0,0|2,0,0]=4 28358 B13R2.9 CNC1CCc2c1cccc2C 269862a_106832991636_100000752022 [0,1,0,1,0,0|2,0,0]=4 28359 B13R2.9 CNC1CCc2c1cccc2Cl 2230a_100000743989_200000210301 [0,1,0,1,0,0|2,0,0]=4 28360 B13R2.9 CNC1CCc2c1cccc2Cl 269862a_106832991636_100000743251 [0,1,0,1,0,0|2,0,0]=4 28361 B13R2.9 CNC1CCc2c1cccc2Cl 34a_100000743989_200000210301 [0,1,0,1,0,0|2,0,0]=4 28362 B13R2.9 CNC1CCc2c1cccc2F 269862a_106832991636_100000743250 [0,1,0,1,0,0|2,0,0]=4 28363 B13R2.9 CNC1CCc2c1cccc2I 269862a_106832991636_100000049675 [0,1,0,1,0,0|2,0,0]=4 28364 B13R2.9 CN[C@H]1CCc2c1cccc2C 2230a_100134618347_200000210301 [0,1,0,1,0,0|2,0,0]=4 28365 B13R2.9 CN[C@H]1CCc2c1cccc2C 34a_100134618347_200000210301 [0,1,0,1,0,0|2,0,0]=4 28366 B13R2.9 CN[C@H]1CCc2c1cccc2F 2230a_100015193782_200000210301 [0,1,0,1,0,0|2,0,0]=4 28367 B13R2.9 CN[C@H]1CCc2c1cccc2F 34a_100015193782_200000210301 [0,1,0,1,0,0|2,0,0]=4 28368 B13R2.9 CN[C@H]1CCc2c1cccc2O 2230a_100134616730_200000210301 [0,1,0,1,0,0|2,0,0]=4 28369 B13R2.9 CN[C@H]1CCc2c1cccc2O 34a_100134616730_200000210301 [0,1,0,1,0,0|2,0,0]=4 28370 B13R2.9 COC1CCc2c1cccc2C 34a_100011467954_200000210301 [0,1,0,1,0,0|2,0,0]=4 28371 B13R2.9 COC1CCc2c1cccc2C 7a_100011467954_200000210301 [0,1,0,1,0,0|2,0,0]=4 28372 B13R2.9 CO[C@H]1CCc2c1cccc2Br 34a_100010080924_200000210301 [0,1,0,1,0,0|2,0,0]=4 28373 B13R2.9 CO[C@H]1CCc2c1cccc2Br 7a_100010080924_200000210301 [0,1,0,1,0,0|2,0,0]=4 28374 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 34a_100011467954_200025704644 [0,1,0,1,0,0|2,0,0]=4 28375 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 7a_100011467954_200025704644 [0,1,0,1,0,0|2,0,0]=4 28376 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 2230a_100134618347_200025704644 [0,1,0,1,0,0|2,0,0]=4 28377 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 34a_100134618347_200025704644 [0,1,0,1,0,0|2,0,0]=4 28378 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 2230a_100000751068_200025704644 [0,1,0,1,0,0|2,0,0]=4 28379 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 34a_100000751068_200025704644 [0,1,0,1,0,0|2,0,0]=4 28380 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 2230a_100000743989_200025704644 [0,1,0,1,0,0|2,0,0]=4 28381 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 34a_100000743989_200025704644 [0,1,0,1,0,0|2,0,0]=4 28382 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 2230a_100015193782_200025704644 [0,1,0,1,0,0|2,0,0]=4 28383 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 34a_100015193782_200025704644 [0,1,0,1,0,0|2,0,0]=4 28384 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 2230a_100134616730_200025704644 [0,1,0,1,0,0|2,0,0]=4 28385 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 34a_100134616730_200025704644 [0,1,0,1,0,0|2,0,0]=4 28386 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 34a_100010080924_200025704644 [0,1,0,1,0,0|2,0,0]=4 28387 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 7a_100010080924_200025704644 [0,1,0,1,0,0|2,0,0]=4 28388 B13R2.18 Brc1ccccc1C2=CCCC2 271570a_100000089523_100000695589 [0,1,0,1,0,0|1,0,1]=4 28389 B13R2.18 Cc1ccccc1C2=CCCC2 271570a_100000089523_100000210755 [0,1,0,1,0,0|1,0,1]=4 28390 B13R2.18 Clc1ccccc1C2=CCCC2 271570a_100000089523_100000764095 [0,1,0,1,0,0|1,0,1]=4 28391 B13R2.18 Fc1ccccc1C2=CCCC2 271570a_100000089523_100011215700 [0,1,0,1,0,0|1,0,1]=4 28392 B13R2.18 Nc1ccccc1C2=CCCC2 271570a_100000089523_100000210017 [0,1,0,1,0,0|1,0,1]=4 28393 B13R2.18 Oc1ccccc1C2=CCCC2 271570a_100000089523_100000739446 [0,1,0,1,0,0|1,0,1]=4 28394 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,1,0,0|0,0,0]=2 28395 B13R2.18 Oc1ccccc1C2CCNC2 271570a_203496583355_100010170462 [0,1,0,1,0,0|2,0,0]=4 28396 B13R2.18 Oc1ccccc1C2OCCO2 271570a_203496583355_100009814316 [0,1,0,1,0,0|2,0,0]=4 28397 B13R2.18 Oc1ccccc1N2CCCC2 271570a_203496583355_100011821364 [0,1,0,1,0,0|2,0,0]=4 28398 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [0,1,0,1,0,0|0,0,0]=2 28399 B13R2.342 NC1CCOc2c1cccc2O 271570a_203496583355_100000727345 [0,1,0,1,0,0|1,0,0]=3 28400 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [0,1,0,1,0,0|1,0,1]=4 28401 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [0,1,0,1,0,0|1,0,0]=3 28402 B13R2.567 CNC1CC1c2ccccc2F 2230a_100000753450_200000210301 [0,1,0,1,0,0|2,0,0]=4 28403 B13R2.567 CNC1CC1c2ccccc2F 34a_100000753450_200000210301 [0,1,0,1,0,0|2,0,0]=4 28404 B13R2.567 [13CH3]NC1CC1c2ccccc2F 2230a_100000753450_200025704644 [0,1,0,1,0,0|2,0,0]=4 28405 B13R2.567 [13CH3]NC1CC1c2ccccc2F 34a_100000753450_200025704644 [0,1,0,1,0,0|2,0,0]=4 28406 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000212008_100000184730 [0,1,0,1,0,0|2,0,0]=4 28407 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000689332_100000211595 [0,1,0,1,0,0|2,0,0]=4 28408 B13R2.3587 Brc1ccccc1COC2CC2 34a_100000756307_100000211595 [0,1,0,1,0,0|2,0,0]=4 28409 B13R2.3587 Brc1ccccc1CSC2CC2 62a_100000184730_100000211595 [0,1,0,1,0,0|2,0,0]=4 28410 B13R2.3587 Brc1ccccc1NCC2CC2 34a_100000210017_100000742324 [0,1,0,1,0,0|2,0,0]=4 28411 B13R2.3587 Brc1ccccc1NCC2CO2 34a_100000210017_102125554688 [0,1,0,1,0,0|2,0,0]=4 28412 B13R2.3587 Brc1ccccc1OCC2CC2 34a_100000181306_100000742324 [0,1,0,1,0,0|2,0,0]=4 28413 B13R2.3587 Brc1ccccc1OCC2CC2 7a_100000181306_100000742324 [0,1,0,1,0,0|2,0,0]=4 28414 B13R2.3587 Brc1ccccc1OCC2CO2 34a_100000181306_102125554688 [0,1,0,1,0,0|2,0,0]=4 28415 B13R2.3587 Brc1ccccc1OCC2CO2 7a_100000181306_102125554688 [0,1,0,1,0,0|2,0,0]=4 28416 B13R2.3587 Brc1ccccc1OCC2CS2 7a_100000181306_100000031435 [0,1,0,1,0,0|2,0,0]=4 28417 B13R2.3587 Brc1ccccc1OC[C@@H]2CO2 7a_100000181306_100000745022 [0,1,0,1,0,0|2,0,0]=4 28418 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000695589_100000742324 [0,1,0,1,0,0|2,0,0]=4 28419 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000756562_100000695589 [0,1,0,1,0,0|2,0,0]=4 28420 B13R2.3587 Brc1ccccc1SCC2CO2 62a_100000695589_102125554688 [0,1,0,1,0,0|2,0,0]=4 28421 B13R2.3587 Brc1ccccc1SCC2CO2 62a_102125554688_100000695589 [0,1,0,1,0,0|2,0,0]=4 28422 B13R2.3587 Brc1ccccc1SCC2CS2 62a_100000031435_100000695589 [0,1,0,1,0,0|2,0,0]=4 28423 B13R2.3587 Brc1ccccc1SCC2CS2 62a_100000695589_100000031435 [0,1,0,1,0,0|2,0,0]=4 28424 B13R2.3587 Brc1ccccc1SC[C@@H]2CO2 62a_100000695589_100000745022 [0,1,0,1,0,0|2,0,0]=4 28425 B13R2.3587 Brc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000695589 [0,1,0,1,0,0|2,0,0]=4 28426 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000174972_100000211595 [0,1,0,1,0,0|2,0,0]=4 28427 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000212008_100000211839 [0,1,0,1,0,0|2,0,0]=4 28428 B13R2.3587 Cc1ccccc1COC2CC2 34a_100000698903_100000211595 [0,1,0,1,0,0|2,0,0]=4 28429 B13R2.3587 Cc1ccccc1CSC2CC2 62a_100000211839_100000211595 [0,1,0,1,0,0|2,0,0]=4 28430 B13R2.3587 Cc1ccccc1NCC2CC2 34a_100015192222_100000742324 [0,1,0,1,0,0|2,0,0]=4 28431 B13R2.3587 Cc1ccccc1NCC2CO2 34a_100015192222_102125554688 [0,1,0,1,0,0|2,0,0]=4 28432 B13R2.3587 Cc1ccccc1OCC2CC2 34a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 28433 B13R2.3587 Cc1ccccc1OCC2CC2 7a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 28434 B13R2.3587 Cc1ccccc1OCC2CO2 34a_100000210338_102125554688 [0,1,0,1,0,0|2,0,0]=4 28435 B13R2.3587 Cc1ccccc1OCC2CO2 7a_100000210338_102125554688 [0,1,0,1,0,0|2,0,0]=4 28436 B13R2.3587 Cc1ccccc1OCC2CS2 7a_100000210338_100000031435 [0,1,0,1,0,0|2,0,0]=4 28437 B13R2.3587 Cc1ccccc1OC[C@@H]2CO2 7a_100000210338_100000745022 [0,1,0,1,0,0|2,0,0]=4 28438 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000210755_100000742324 [0,1,0,1,0,0|2,0,0]=4 28439 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000756562_100000210755 [0,1,0,1,0,0|2,0,0]=4 28440 B13R2.3587 Cc1ccccc1SCC2CO2 62a_100000210755_102125554688 [0,1,0,1,0,0|2,0,0]=4 28441 B13R2.3587 Cc1ccccc1SCC2CO2 62a_102125554688_100000210755 [0,1,0,1,0,0|2,0,0]=4 28442 B13R2.3587 Cc1ccccc1SCC2CS2 62a_100000031435_100000210755 [0,1,0,1,0,0|2,0,0]=4 28443 B13R2.3587 Cc1ccccc1SCC2CS2 62a_100000210755_100000031435 [0,1,0,1,0,0|2,0,0]=4 28444 B13R2.3587 Cc1ccccc1SC[C@@H]2CO2 62a_100000210755_100000745022 [0,1,0,1,0,0|2,0,0]=4 28445 B13R2.3587 Cc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000210755 [0,1,0,1,0,0|2,0,0]=4 28446 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000174879_100000211595 [0,1,0,1,0,0|2,0,0]=4 28447 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000212008_100000187162 [0,1,0,1,0,0|2,0,0]=4 28448 B13R2.3587 Clc1ccccc1COC2CC2 34a_100000210847_100000211595 [0,1,0,1,0,0|2,0,0]=4 28449 B13R2.3587 Clc1ccccc1CSC2CC2 62a_100000187162_100000211595 [0,1,0,1,0,0|2,0,0]=4 28450 B13R2.3587 Clc1ccccc1NCC2CC2 34a_100000185783_100000742324 [0,1,0,1,0,0|2,0,0]=4 28451 B13R2.3587 Clc1ccccc1NCC2CO2 34a_100000185783_102125554688 [0,1,0,1,0,0|2,0,0]=4 28452 B13R2.3587 Clc1ccccc1OCC2CC2 34a_100000210172_100000742324 [0,1,0,1,0,0|2,0,0]=4 28453 B13R2.3587 Clc1ccccc1OCC2CC2 7a_100000210172_100000742324 [0,1,0,1,0,0|2,0,0]=4 28454 B13R2.3587 Clc1ccccc1OCC2CO2 34a_100000210172_102125554688 [0,1,0,1,0,0|2,0,0]=4 28455 B13R2.3587 Clc1ccccc1OCC2CO2 7a_100000210172_102125554688 [0,1,0,1,0,0|2,0,0]=4 28456 B13R2.3587 Clc1ccccc1OCC2CS2 7a_100000210172_100000031435 [0,1,0,1,0,0|2,0,0]=4 28457 B13R2.3587 Clc1ccccc1OC[C@@H]2CO2 7a_100000210172_100000745022 [0,1,0,1,0,0|2,0,0]=4 28458 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000756562_100000764095 [0,1,0,1,0,0|2,0,0]=4 28459 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000764095_100000742324 [0,1,0,1,0,0|2,0,0]=4 28460 B13R2.3587 Clc1ccccc1SCC2CO2 62a_100000764095_102125554688 [0,1,0,1,0,0|2,0,0]=4 28461 B13R2.3587 Clc1ccccc1SCC2CO2 62a_102125554688_100000764095 [0,1,0,1,0,0|2,0,0]=4 28462 B13R2.3587 Clc1ccccc1SCC2CS2 62a_100000031435_100000764095 [0,1,0,1,0,0|2,0,0]=4 28463 B13R2.3587 Clc1ccccc1SCC2CS2 62a_100000764095_100000031435 [0,1,0,1,0,0|2,0,0]=4 28464 B13R2.3587 Clc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000764095 [0,1,0,1,0,0|2,0,0]=4 28465 B13R2.3587 Clc1ccccc1SC[C@@H]2CO2 62a_100000764095_100000745022 [0,1,0,1,0,0|2,0,0]=4 28466 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000174869_100000211595 [0,1,0,1,0,0|2,0,0]=4 28467 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000212008_100000211605 [0,1,0,1,0,0|2,0,0]=4 28468 B13R2.3587 Fc1ccccc1COC2CC2 34a_100000211962_100000211595 [0,1,0,1,0,0|2,0,0]=4 28469 B13R2.3587 Fc1ccccc1CSC2CC2 62a_100000211605_100000211595 [0,1,0,1,0,0|2,0,0]=4 28470 B13R2.3587 Fc1ccccc1NCC2CC2 34a_100000210422_100000742324 [0,1,0,1,0,0|2,0,0]=4 28471 B13R2.3587 Fc1ccccc1NCC2CO2 34a_100000210422_102125554688 [0,1,0,1,0,0|2,0,0]=4 28472 B13R2.3587 Fc1ccccc1OCC2CC2 34a_100000210171_100000742324 [0,1,0,1,0,0|2,0,0]=4 28473 B13R2.3587 Fc1ccccc1OCC2CC2 7a_100000210171_100000742324 [0,1,0,1,0,0|2,0,0]=4 28474 B13R2.3587 Fc1ccccc1OCC2CO2 34a_100000210171_102125554688 [0,1,0,1,0,0|2,0,0]=4 28475 B13R2.3587 Fc1ccccc1OCC2CO2 7a_100000210171_102125554688 [0,1,0,1,0,0|2,0,0]=4 28476 B13R2.3587 Fc1ccccc1OCC2CS2 7a_100000210171_100000031435 [0,1,0,1,0,0|2,0,0]=4 28477 B13R2.3587 Fc1ccccc1OC[C@@H]2CO2 7a_100000210171_100000745022 [0,1,0,1,0,0|2,0,0]=4 28478 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100000756562_100011215700 [0,1,0,1,0,0|2,0,0]=4 28479 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100011215700_100000742324 [0,1,0,1,0,0|2,0,0]=4 28480 B13R2.3587 Fc1ccccc1SCC2CO2 62a_100011215700_102125554688 [0,1,0,1,0,0|2,0,0]=4 28481 B13R2.3587 Fc1ccccc1SCC2CO2 62a_102125554688_100011215700 [0,1,0,1,0,0|2,0,0]=4 28482 B13R2.3587 Fc1ccccc1SCC2CS2 62a_100000031435_100011215700 [0,1,0,1,0,0|2,0,0]=4 28483 B13R2.3587 Fc1ccccc1SCC2CS2 62a_100011215700_100000031435 [0,1,0,1,0,0|2,0,0]=4 28484 B13R2.3587 Fc1ccccc1SC[C@@H]2CO2 62a_100000745022_100011215700 [0,1,0,1,0,0|2,0,0]=4 28485 B13R2.3587 Fc1ccccc1SC[C@@H]2CO2 62a_100011215700_100000745022 [0,1,0,1,0,0|2,0,0]=4 28486 B13R2.3587 Ic1ccccc1CNC2CC2 34a_100000212008_100011215278 [0,1,0,1,0,0|2,0,0]=4 28487 B13R2.3587 Ic1ccccc1COC2CC2 34a_100000187465_100000211595 [0,1,0,1,0,0|2,0,0]=4 28488 B13R2.3587 Ic1ccccc1CSC2CC2 62a_100011216222_100000211595 [0,1,0,1,0,0|2,0,0]=4 28489 B13R2.3587 Ic1ccccc1NCC2CC2 34a_100000210053_100000742324 [0,1,0,1,0,0|2,0,0]=4 28490 B13R2.3587 Ic1ccccc1NCC2CO2 34a_100000210053_102125554688 [0,1,0,1,0,0|2,0,0]=4 28491 B13R2.3587 Ic1ccccc1OCC2CC2 34a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 28492 B13R2.3587 Ic1ccccc1OCC2CC2 7a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 28493 B13R2.3587 Ic1ccccc1OCC2CO2 34a_100000739446_102125554688 [0,1,0,1,0,0|2,0,0]=4 28494 B13R2.3587 Ic1ccccc1OCC2CO2 7a_100000739446_102125554688 [0,1,0,1,0,0|2,0,0]=4 28495 B13R2.3587 Ic1ccccc1OCC2CS2 7a_100000739446_100000031435 [0,1,0,1,0,0|2,0,0]=4 28496 B13R2.3587 Ic1ccccc1OC[C@@H]2CO2 7a_100000739446_100000745022 [0,1,0,1,0,0|2,0,0]=4 28497 B13R2.3587 Nc1ccccc1COC2CC2 34a_100000212039_100000211595 [0,1,0,1,0,0|2,0,0]=4 28498 B13R2.3587 Nc1ccccc1OCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 28499 B13R2.3587 Nc1ccccc1OCC2CC2 7a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 28500 B13R2.3587 Nc1ccccc1OCC2CO2 34a_100000185747_102125554688 [0,1,0,1,0,0|2,0,0]=4 28501 B13R2.3587 Nc1ccccc1OCC2CO2 7a_100000185747_102125554688 [0,1,0,1,0,0|2,0,0]=4 28502 B13R2.3587 Nc1ccccc1OCC2CS2 7a_100000185747_100000031435 [0,1,0,1,0,0|2,0,0]=4 28503 B13R2.3587 Nc1ccccc1OC[C@@H]2CO2 7a_100000185747_100000745022 [0,1,0,1,0,0|2,0,0]=4 28504 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000210017_100000742324 [0,1,0,1,0,0|2,0,0]=4 28505 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000756562_100000210017 [0,1,0,1,0,0|2,0,0]=4 28506 B13R2.3587 Nc1ccccc1SCC2CO2 62a_100000210017_102125554688 [0,1,0,1,0,0|2,0,0]=4 28507 B13R2.3587 Nc1ccccc1SCC2CO2 62a_102125554688_100000210017 [0,1,0,1,0,0|2,0,0]=4 28508 B13R2.3587 Nc1ccccc1SCC2CS2 62a_100000031435_100000210017 [0,1,0,1,0,0|2,0,0]=4 28509 B13R2.3587 Nc1ccccc1SCC2CS2 62a_100000210017_100000031435 [0,1,0,1,0,0|2,0,0]=4 28510 B13R2.3587 Nc1ccccc1SC[C@@H]2CO2 62a_100000210017_100000745022 [0,1,0,1,0,0|2,0,0]=4 28511 B13R2.3587 Nc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000210017 [0,1,0,1,0,0|2,0,0]=4 28512 B13R2.3587 Oc1ccccc1CNC2CC2 34a_100000185550_100000211595 [0,1,0,1,0,0|2,0,0]=4 28513 B13R2.3587 Oc1ccccc1NCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 28514 B13R2.3587 Oc1ccccc1NCC2CO2 34a_100000185747_102125554688 [0,1,0,1,0,0|2,0,0]=4 28515 B13R2.3587 Oc1ccccc1OCC2CC2 271570a_203496583355_100011316338 [0,1,0,1,0,0|2,0,0]=4 28516 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 28517 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000756562_100000739446 [0,1,0,1,0,0|2,0,0]=4 28518 B13R2.3587 Oc1ccccc1SCC2CO2 62a_100000739446_102125554688 [0,1,0,1,0,0|2,0,0]=4 28519 B13R2.3587 Oc1ccccc1SCC2CO2 62a_102125554688_100000739446 [0,1,0,1,0,0|2,0,0]=4 28520 B13R2.3587 Oc1ccccc1SCC2CS2 62a_100000031435_100000739446 [0,1,0,1,0,0|2,0,0]=4 28521 B13R2.3587 Oc1ccccc1SCC2CS2 62a_100000739446_100000031435 [0,1,0,1,0,0|2,0,0]=4 28522 B13R2.3587 Oc1ccccc1SC[C@@H]2CO2 62a_100000739446_100000745022 [0,1,0,1,0,0|2,0,0]=4 28523 B13R2.3587 Oc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000739446 [0,1,0,1,0,0|2,0,0]=4 28524 B13R2.5225 Brc1ccccc1CN2CCC2 269982a_100000754969_100000184730 [0,1,0,1,0,0|2,0,0]=4 28525 B13R2.5225 Brc1ccccc1CN2CCC2 26a_100000754969_100000181306 [0,1,0,1,0,0|2,0,0]=4 28526 B13R2.5225 Brc1ccccc1NC2CCC2 34a_100000210017_100000749161 [0,1,0,1,0,0|2,0,0]=4 28527 B13R2.5225 Brc1ccccc1OC2CCC2 34a_100000181306_100000749161 [0,1,0,1,0,0|2,0,0]=4 28528 B13R2.5225 Brc1ccccc1SC2CCC2 62a_100000695589_100000749161 [0,1,0,1,0,0|2,0,0]=4 28529 B13R2.5225 Cc1ccccc1CN2CCC2 269982a_100000754969_100000211839 [0,1,0,1,0,0|2,0,0]=4 28530 B13R2.5225 Cc1ccccc1NC2CCC2 34a_100015192222_100000749161 [0,1,0,1,0,0|2,0,0]=4 28531 B13R2.5225 Cc1ccccc1OC2CCC2 34a_100000210338_100000749161 [0,1,0,1,0,0|2,0,0]=4 28532 B13R2.5225 Cc1ccccc1SC2CCC2 62a_100000210755_100000749161 [0,1,0,1,0,0|2,0,0]=4 28533 B13R2.5225 Clc1ccccc1CN2CCC2 269982a_100000754969_100000187162 [0,1,0,1,0,0|2,0,0]=4 28534 B13R2.5225 Clc1ccccc1CN2CCC2 26a_100000754969_100000210172 [0,1,0,1,0,0|2,0,0]=4 28535 B13R2.5225 Clc1ccccc1NC2CCC2 34a_100000185783_100000749161 [0,1,0,1,0,0|2,0,0]=4 28536 B13R2.5225 Clc1ccccc1OC2CCC2 34a_100000210172_100000749161 [0,1,0,1,0,0|2,0,0]=4 28537 B13R2.5225 Clc1ccccc1SC2CCC2 62a_100000764095_100000749161 [0,1,0,1,0,0|2,0,0]=4 28538 B13R2.5225 Fc1ccccc1CN2CCC2 269982a_100000754969_100000211605 [0,1,0,1,0,0|2,0,0]=4 28539 B13R2.5225 Fc1ccccc1NC2CCC2 34a_100000210422_100000749161 [0,1,0,1,0,0|2,0,0]=4 28540 B13R2.5225 Fc1ccccc1OC2CCC2 34a_100000210171_100000749161 [0,1,0,1,0,0|2,0,0]=4 28541 B13R2.5225 Fc1ccccc1SC2CCC2 62a_100011215700_100000749161 [0,1,0,1,0,0|2,0,0]=4 28542 B13R2.5225 Ic1ccccc1CN2CCC2 269982a_100000754969_100011215278 [0,1,0,1,0,0|2,0,0]=4 28543 B13R2.5225 Ic1ccccc1NC2CCC2 34a_100000210053_100000749161 [0,1,0,1,0,0|2,0,0]=4 28544 B13R2.5225 Ic1ccccc1OC2CCC2 34a_100000739446_100000749161 [0,1,0,1,0,0|2,0,0]=4 28545 B13R2.5225 Nc1ccccc1OC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 28546 B13R2.5225 Nc1ccccc1SC2CCC2 62a_100000210017_100000749161 [0,1,0,1,0,0|2,0,0]=4 28547 B13R2.5225 Oc1ccccc1NC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 28548 B13R2.5225 Oc1ccccc1SC2CCC2 62a_100000739446_100000749161 [0,1,0,1,0,0|2,0,0]=4 28549 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,1,0|2,0,0]=4 28550 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,0,0,0,1,0|2,0,0]=4 28551 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|1,0,0]=3 28552 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|1,0,0]=3 28553 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|1,0,0]=3 28554 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|1,0,0]=3 28555 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,0,0,0,1,0|2,0,0]=4 28556 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [1,0,0,0,1,0|2,0,0]=4 28557 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,1,0|2,0,0]=4 28558 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,0,0,0,1,0|2,0,0]=4 28559 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [1,0,0,0,1,0|2,0,0]=4 28560 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [1,0,0,0,1,0|2,0,0]=4 28561 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,1,0|2,0,0]=4 28562 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,0,0,0,1,0|2,0,0]=4 28563 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,1,0|2,0,0]=4 28564 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,0,0,0,1,0|2,0,0]=4 28565 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 28566 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 28567 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,1,0|2,0,0]=4 28568 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,1,0|2,0,0]=4 28569 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,0,0,0,1,0|2,0,0]=4 28570 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,0,0,0,1,0|2,0,0]=4 28571 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [1,0,0,0,1,0|2,0,0]=4 28572 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [1,0,0,0,1,0|2,0,0]=4 28573 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [1,0,0,0,1,0|2,0,0]=4 28574 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [1,0,0,0,1,0|2,0,0]=4 28575 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,1,0|2,0,0]=4 28576 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,1,0|2,0,0]=4 28577 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,1,0|2,0,0]=4 28578 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,1,0|2,0,0]=4 28579 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,1,0|2,0,0]=4 28580 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,1,0|2,0,0]=4 28581 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,1,0|2,0,0]=4 28582 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [1,0,0,0,1,0|2,0,0]=4 28583 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [1,0,0,0,1,0|2,0,0]=4 28584 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [1,0,0,0,1,0|2,0,0]=4 28585 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [1,0,0,0,1,0|2,0,0]=4 28586 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [1,0,0,0,1,0|2,0,0]=4 28587 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [1,0,0,0,1,0|2,0,0]=4 28588 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [1,0,0,0,1,0|2,0,0]=4 28589 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [1,0,0,0,1,0|2,0,0]=4 28590 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [1,0,0,0,1,0|2,0,0]=4 28591 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,1,0|2,0,0]=4 28592 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,1,0|2,0,0]=4 28593 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [1,0,0,0,1,0|2,0,0]=4 28594 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [1,0,0,0,1,0|2,0,0]=4 28595 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [1,0,0,0,1,0|2,0,0]=4 28596 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [1,0,0,0,1,0|2,0,0]=4 28597 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [1,0,0,0,1,0|2,0,0]=4 28598 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,1,0|2,0,0]=4 28599 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,1,0|2,0,0]=4 28600 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,1,0|2,0,0]=4 28601 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,1,0|2,0,0]=4 28602 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,1,0|2,0,0]=4 28603 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,1,0|2,0,0]=4 28604 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,1,0|2,0,0]=4 28605 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,1,0|2,0,0]=4 28606 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,1,0|2,0,0]=4 28607 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,1,0|2,0,0]=4 28608 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,1,0|2,0,0]=4 28609 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,1,0|2,0,0]=4 28610 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 28611 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,1,0|2,0,0]=4 28612 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 28613 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,1,0|2,0,0]=4 28614 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,1,0|2,0,0]=4 28615 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,1,0|2,0,0]=4 28616 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,1,0|2,0,0]=4 28617 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,1,0|2,0,0]=4 28618 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,1,0|2,0,0]=4 28619 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,1,0|2,0,0]=4 28620 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,1,0|2,0,0]=4 28621 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,1,0|2,0,0]=4 28622 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,1,0|2,0,0]=4 28623 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,1,0|2,0,0]=4 28624 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,1,0|2,0,0]=4 28625 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,1,0|2,0,0]=4 28626 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 28627 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 28628 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,1,0|2,0,0]=4 28629 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,1,0|2,0,0]=4 28630 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,1,0|2,0,0]=4 28631 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,1,0|2,0,0]=4 28632 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,1,0|2,0,0]=4 28633 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,1,0|2,0,0]=4